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

Systemtic Name: 2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-(2-methoxy-5-nitro-phenyl)propanamide Openeye Name: 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(2-methoxy-5-nitro-phenyl)propanamide CAS Name: 2-[(4,6-diamino-2-pyrimidinyl)thio]-N-(2-methoxy-5-nitrophenyl)propanamide IUPAC Name: 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(2-methoxy-5-nitrophenyl)propanamide Traditional Name: 2-[(4,6-diaminopyrimidin-2-yl)thio]-N-(2-methoxy-5-nitro-phenyl)propionamide Formula: C14H16N6O4S MolecularWeight: 364.37964

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N6O4S/c1-7(25-14-18-11(15)6-12(16)19-14)13(21)17-9-5-8(20(22)23)3-4-10(9)24-2/h3-7H,1-2H3,(H,17,21)(H4,15,16,18,19)