3-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-(2-methyl-5-nitro-phenyl)propanamide

Systemtic Name: 3-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-(2-methyl-5-nitro-phenyl)propanamide Openeye Name: 3-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(2-methyl-5-nitro-phenyl)propanamide CAS Name: 3-[(4,6-diamino-2-pyrimidinyl)thio]-N-(2-methyl-5-nitrophenyl)propanamide IUPAC Name: 3-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(2-methyl-5-nitrophenyl)propanamide Traditional Name: 3-[(4,6-diaminopyrimidin-2-yl)thio]-N-(2-methyl-5-nitro-phenyl)propionamide Formula: C14H16N6O3S MolecularWeight: 348.38024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CCSC2=NC(=CC(=N2)N)N

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CCSC2=NC(=CC(=N2)N)N

InChI

InChI=1S/C14H16N6O3S/c1-8-2-3-9(20(22)23)6-10(8)17-13(21)4-5-24-14-18-11(15)7-12(16)19-14/h2-3,6-7H,4-5H2,1H3,(H,17,21)(H4,15,16,18,19)