3-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanyl-N-(4-nitrophenyl)propanamide

Systemtic Name: 3-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanyl-N-(4-nitrophenyl)propanamide Openeye Name: 3-(4-amino-5-cyano-pyrimidin-2-yl)sulfanyl-N-(4-nitrophenyl)propanamide CAS Name: 3-[(4-amino-5-cyano-2-pyrimidinyl)thio]-N-(4-nitrophenyl)propanamide IUPAC Name: 3-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(4-nitrophenyl)propanamide Traditional Name: 3-[(4-amino-5-cyano-pyrimidin-2-yl)thio]-N-(4-nitrophenyl)propionamide Formula: C14H12N6O3S MolecularWeight: 344.34848

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)CCSC2=NC=C(C(=N2)N)C#N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1NC(=O)CCSC2=NC=C(C(=N2)N)C#N)[N+](=O)[O-]

InChI

InChI=1S/C14H12N6O3S/c15-7-9-8-17-14(19-13(9)16)24-6-5-12(21)18-10-1-3-11(4-2-10)20(22)23/h1-4,8H,5-6H2,(H,18,21)(H2,16,17,19)