2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanyl-N-(4-propoxyphenyl)ethanamide

Systemtic Name: 2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanyl-N-(4-propoxyphenyl)ethanamide Openeye Name: 2-(4-amino-5-cyano-pyrimidin-2-yl)sulfanyl-N-(4-propoxyphenyl)acetamide CAS Name: 2-[(4-amino-5-cyano-2-pyrimidinyl)thio]-N-(4-propoxyphenyl)acetamide IUPAC Name: 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(4-propoxyphenyl)acetamide Traditional Name: 2-[(4-amino-5-cyano-pyrimidin-2-yl)thio]-N-(4-propoxyphenyl)acetamide Formula: C16H17N5O2S MolecularWeight: 343.40348

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)NC(=O)CSC2=NC=C(C(=N2)N)C#N

Isomeric SMILES

CCCOC1=CC=C(C=C1)NC(=O)CSC2=NC=C(C(=N2)N)C#N

InChI

InChI=1S/C16H17N5O2S/c1-2-7-23-13-5-3-12(4-6-13)20-14(22)10-24-16-19-9-11(8-17)15(18)21-16/h3-6,9H,2,7,10H2,1H3,(H,20,22)(H2,18,19,21)