3-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanyl-N-(4-chloranyl-2-nitro-phenyl)propanamide

Systemtic Name: 3-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanyl-N-(4-chloranyl-2-nitro-phenyl)propanamide Openeye Name: 3-(4-amino-5-cyano-pyrimidin-2-yl)sulfanyl-N-(4-chloro-2-nitro-phenyl)propanamide CAS Name: 3-[(4-amino-5-cyano-2-pyrimidinyl)thio]-N-(4-chloro-2-nitrophenyl)propanamide IUPAC Name: 3-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(4-chloro-2-nitrophenyl)propanamide Traditional Name: 3-[(4-amino-5-cyano-pyrimidin-2-yl)thio]-N-(4-chloro-2-nitro-phenyl)propionamide Formula: C14H11ClN6O3S MolecularWeight: 378.79354

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Cl)[N+](=O)[O-])NC(=O)CCSC2=NC=C(C(=N2)N)C#N

Isomeric SMILES

C1=CC(=C(C=C1Cl)[N+](=O)[O-])NC(=O)CCSC2=NC=C(C(=N2)N)C#N

InChI

InChI=1S/C14H11ClN6O3S/c15-9-1-2-10(11(5-9)21(23)24)19-12(22)3-4-25-14-18-7-8(6-16)13(17)20-14/h1-2,5,7H,3-4H2,(H,19,22)(H2,17,18,20)