725

6-amino-2-(methylamino)-4-(2-((2R,3R,4R,5R)-3,4,5-trimethoxytetrahydrofuran-2-yl)ethyl)-1H-imidazo[4,5-g]quinazolin-8(7H)-one

Created:	2016-08-15
Last modified:	2017-08-30

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2 entries where 725 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	56
Chiral Atom Count	4
Bond Count	59
Aromatic Bond Count	10

2D diagram of 725

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Chemical Component Summary
Name	6-amino-2-(methylamino)-4-(2-((2R,3R,4R,5R)-3,4,5-trimethoxytetrahydrofuran-2-yl)ethyl)-1H-imidazo[4,5-g]quinazolin-8(7H)-one
Systematic Name (OpenEye OEToolkits)	6-azanyl-2-(methylamino)-4-[2-[(2~{R},3~{R},4~{R},5~{R})-3,4,5-trimethoxyoxolan-2-yl]ethyl]-3,7-dihydroimidazo[4,5-g]quinazolin-8-one
Formula	C₁₉ H₂₆ N₆ O₅
Molecular Weight	418.447
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CNc1[nH]c2c(CC[CH]3O[CH](OC)[CH](OC)[CH]3OC)c4N=C(N)NC(=O)c4cc2n1
SMILES	OpenEye OEToolkits	2.0.5	CNc1[nH]c2c(n1)cc3c(c2CCC4C(C(C(O4)OC)OC)OC)N=C(NC3=O)N
Canonical SMILES	CACTVS	3.385	CNc1[nH]c2c(CC[C@H]3O[C@@H](OC)[C@H](OC)[C@@H]3OC)c4N=C(N)NC(=O)c4cc2n1
Canonical SMILES	OpenEye OEToolkits	2.0.5	CNc1[nH]c2c(n1)cc3c(c2CC[C@@H]4[C@H]([C@H]([C@@H](O4)OC)OC)OC)N=C(NC3=O)N
InChI	InChI	1.03	InChI=1S/C19H26N6O5/c1-21-19-22-10-7-9-12(23-18(20)25-16(9)26)8(13(10)24-19)5-6-11-14(27-2)15(28-3)17(29-4)30-11/h7,11,14-15,17H,5-6H2,1-4H3,(H2,21,22,24)(H3,20,23,25,26)/t11-,14-,15-,17-/m1/s1
InChIKey	InChI	1.03	OMBPYCFBGGXDQG-BNGXUDDSSA-N

Related Resource References

Resource Name	Reference
PubChem	129900088, 135567217

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