N-(4-acetamidophenyl)-2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanyl-propanamide

Systemtic Name: N-(4-acetamidophenyl)-2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanyl-propanamide Openeye Name: N-(4-acetamidophenyl)-2-(4-amino-5-cyano-pyrimidin-2-yl)sulfanyl-propanamide CAS Name: N-(4-acetamidophenyl)-2-[(4-amino-5-cyano-2-pyrimidinyl)thio]propanamide IUPAC Name: N-(4-acetamidophenyl)-2-(4-amino-5-cyanopyrimidin-2-yl)sulfanylpropanamide Traditional Name: N-(4-acetamidophenyl)-2-[(4-amino-5-cyano-pyrimidin-2-yl)thio]propionamide Formula: C16H16N6O2S MolecularWeight: 356.40224

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)NC(=O)C)SC2=NC=C(C(=N2)N)C#N

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)NC(=O)C)SC2=NC=C(C(=N2)N)C#N

InChI

InChI=1S/C16H16N6O2S/c1-9(25-16-19-8-11(7-17)14(18)22-16)15(24)21-13-5-3-12(4-6-13)20-10(2)23/h3-6,8-9H,1-2H3,(H,20,23)(H,21,24)(H2,18,19,22)