2-[[1-(2-azanyl-6-methyl-pyrimidin-4-yl)-1,2-diazirin-3-yl]sulfanyl]-3-oxidanylidene-N-phenyl-butanamide

Systemtic Name: 2-[[1-(2-azanyl-6-methyl-pyrimidin-4-yl)-1,2-diazirin-3-yl]sulfanyl]-3-oxidanylidene-N-phenyl-butanamide Openeye Name: 2-[1-(2-amino-6-methyl-pyrimidin-4-yl)diazirin-3-yl]sulfanyl-3-oxo-N-phenyl-butanamide CAS Name: 2-[[1-(2-amino-6-methyl-4-pyrimidinyl)-3-diazirinyl]thio]-3-oxo-N-phenylbutanamide IUPAC Name: 2-[1-(2-amino-6-methylpyrimidin-4-yl)diazirin-3-yl]sulfanyl-3-oxo-N-phenylbutanamide Traditional Name: 2-[[1-(2-amino-6-methyl-pyrimidin-4-yl)diazirin-3-yl]thio]-3-keto-N-phenyl-butyramide Formula: C16H16N6O2S MolecularWeight: 356.40224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N)N2C(=N2)SC(C(=O)C)C(=O)NC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=NC(=N1)N)N2C(=N2)SC(C(=O)C)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C16H16N6O2S/c1-9-8-12(20-15(17)18-9)22-16(21-22)25-13(10(2)23)14(24)19-11-6-4-3-5-7-11/h3-8,13H,1-2H3,(H,19,24)(H2,17,18,20)