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

Systemtic Name: 2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanyl-N-(4-fluoranyl-3-nitro-phenyl)propanamide Openeye Name: 2-(4-amino-5-cyano-pyrimidin-2-yl)sulfanyl-N-(4-fluoro-3-nitro-phenyl)propanamide CAS Name: 2-[(4-amino-5-cyano-2-pyrimidinyl)thio]-N-(4-fluoro-3-nitrophenyl)propanamide IUPAC Name: 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(4-fluoro-3-nitrophenyl)propanamide Traditional Name: 2-[(4-amino-5-cyano-pyrimidin-2-yl)thio]-N-(4-fluoro-3-nitro-phenyl)propionamide Formula: C14H11FN6O3S MolecularWeight: 362.338943

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)F)[N+](=O)[O-])SC2=NC=C(C(=N2)N)C#N

Isomeric SMILES

CC(C(=O)NC1=CC(=C(C=C1)F)[N+](=O)[O-])SC2=NC=C(C(=N2)N)C#N

InChI

InChI=1S/C14H11FN6O3S/c1-7(25-14-18-6-8(5-16)12(17)20-14)13(22)19-9-2-3-10(15)11(4-9)21(23)24/h2-4,6-7H,1H3,(H,19,22)(H2,17,18,20)