2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]ethanamide

Systemtic Name: 2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]ethanamide Openeye Name: 2-(4-amino-5-cyano-pyrimidin-2-yl)sulfanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide CAS Name: 2-[(4-amino-5-cyano-2-pyrimidinyl)thio]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide IUPAC Name: 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide Traditional Name: 2-[(4-amino-5-cyano-pyrimidin-2-yl)thio]-N-homoveratryl-acetamide Formula: C17H19N5O3S MolecularWeight: 373.42946

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)CSC2=NC=C(C(=N2)N)C#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)CSC2=NC=C(C(=N2)N)C#N)OC

InChI

InChI=1S/C17H19N5O3S/c1-24-13-4-3-11(7-14(13)25-2)5-6-20-15(23)10-26-17-21-9-12(8-18)16(19)22-17/h3-4,7,9H,5-6,10H2,1-2H3,(H,20,23)(H2,19,21,22)