2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-(2-cyanoethyl)-N-(4-ethoxyphenyl)ethanamide

Systemtic Name: 2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-(2-cyanoethyl)-N-(4-ethoxyphenyl)ethanamide Openeye Name: N-(2-cyanoethyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(4-ethoxyphenyl)acetamide CAS Name: N-(2-cyanoethyl)-2-[(4,6-diamino-2-pyrimidinyl)thio]-N-(4-ethoxyphenyl)acetamide IUPAC Name: N-(2-cyanoethyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(4-ethoxyphenyl)acetamide Traditional Name: N-(2-cyanoethyl)-2-[(4,6-diaminopyrimidin-2-yl)thio]-N-p-phenetyl-acetamide Formula: C17H20N6O2S MolecularWeight: 372.4447

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N(CCC#N)C(=O)CSC2=NC(=CC(=N2)N)N

Isomeric SMILES

CCOC1=CC=C(C=C1)N(CCC#N)C(=O)CSC2=NC(=CC(=N2)N)N

InChI

InChI=1S/C17H20N6O2S/c1-2-25-13-6-4-12(5-7-13)23(9-3-8-18)16(24)11-26-17-21-14(19)10-15(20)22-17/h4-7,10H,2-3,9,11H2,1H3,(H4,19,20,21,22)