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

Systemtic Name: (2S)-2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-(2-methyl-5-nitro-phenyl)propanamide Openeye Name: (2S)-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(2-methyl-5-nitro-phenyl)propanamide CAS Name: (2S)-2-[(4,6-diamino-2-pyrimidinyl)thio]-N-(2-methyl-5-nitrophenyl)propanamide IUPAC Name: (2S)-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(2-methyl-5-nitrophenyl)propanamide Traditional Name: (2S)-2-[(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)C(C)SC2=NC(=CC(=N2)N)N

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)[C@H](C)SC2=NC(=CC(=N2)N)N

InChI

InChI=1S/C14H16N6O3S/c1-7-3-4-9(20(22)23)5-10(7)17-13(21)8(2)24-14-18-11(15)6-12(16)19-14/h3-6,8H,1-2H3,(H,17,21)(H4,15,16,18,19)/t8-/m0/s1