9D3

N-({4-[(diethylamino)methyl]phenyl}methyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-5-carboxamide

Created:2018-03-16
Last modified:  2019-03-06

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Chemical Details

Formal Charge0
Atom Count48
Chiral Atom Count0
Bond Count50
Aromatic Bond Count11
2D diagram of 9D3

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Chemical Component Summary

NameN-({4-[(diethylamino)methyl]phenyl}methyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-5-carboxamide
Systematic Name (OpenEye OEToolkits)~{N}-[[4-(diethylaminomethyl)phenyl]methyl]-4-oxidanylidene-3~{H}-thieno[2,3-d]pyrimidine-5-carboxamide
FormulaC19 H22 N4 O2 S
Molecular Weight370.469
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01CCN(CC)Cc1ccc(cc1)CNC(=O)c2csc3c2C(=O)NC=N3
SMILESCACTVS3.385CCN(CC)Cc1ccc(CNC(=O)c2csc3N=CNC(=O)c23)cc1
SMILESOpenEye OEToolkits2.0.6CCN(CC)Cc1ccc(cc1)CNC(=O)c2csc3c2C(=O)NC=N3
Canonical SMILESCACTVS3.385 CCN(CC)Cc1ccc(CNC(=O)c2csc3N=CNC(=O)c23)cc1
Canonical SMILESOpenEye OEToolkits2.0.6 CCN(CC)Cc1ccc(cc1)CNC(=O)c2csc3c2C(=O)NC=N3
InChIInChI1.03 InChI=1S/C19H22N4O2S/c1-3-23(4-2)10-14-7-5-13(6-8-14)9-20-17(24)15-11-26-19-16(15)18(25)21-12-22-19/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,20,24)(H,21,22,25)
InChIKeyInChI1.03 SNPTXDKRQKLKGA-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 137347758