M4V

2-amino-6-(4-bromophenyl)-5-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4(7H)-one

Created:	2014-01-16
Last modified:	2015-01-21

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1 entries where M4V is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	37
Chiral Atom Count	0
Bond Count	40
Aromatic Bond Count	17

2D diagram of M4V

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Chemical Component Summary
Name	2-amino-6-(4-bromophenyl)-5-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4(7H)-one
Systematic Name (OpenEye OEToolkits)	2-azanyl-6-(4-bromophenyl)-5-phenyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
Formula	C₁₈ H₁₃ Br N₄ O
Molecular Weight	381.226
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Brc4ccc(c2c(c1c(N=C(N)NC1=O)n2)c3ccccc3)cc4
SMILES	CACTVS	3.385	NC1=Nc2[nH]c(c3ccc(Br)cc3)c(c4ccccc4)c2C(=O)N1
SMILES	OpenEye OEToolkits	1.7.6	c1ccc(cc1)c2c3c([nH]c2c4ccc(cc4)Br)N=C(NC3=O)N
Canonical SMILES	CACTVS	3.385	NC1=Nc2[nH]c(c3ccc(Br)cc3)c(c4ccccc4)c2C(=O)N1
Canonical SMILES	OpenEye OEToolkits	1.7.6	c1ccc(cc1)c2c3c([nH]c2c4ccc(cc4)Br)N=C(NC3=O)N
InChI	InChI	1.03	InChI=1S/C18H13BrN4O/c19-12-8-6-11(7-9-12)15-13(10-4-2-1-3-5-10)14-16(21-15)22-18(20)23-17(14)24/h1-9H,(H4,20,21,22,23,24)
InChIKey	InChI	1.03	QRTLRDCVNXIKGA-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	135566679, 86580362
ChEMBL	CHEMBL3318815

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