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

Systemtic Name: 2-[[1-(4-methoxy-6-methyl-pyrimidin-2-yl)-1,2-diazirin-3-yl]sulfanyl]-3-oxidanylidene-N-phenyl-butanamide Openeye Name: 2-[1-(4-methoxy-6-methyl-pyrimidin-2-yl)diazirin-3-yl]sulfanyl-3-oxo-N-phenyl-butanamide CAS Name: 2-[[1-(4-methoxy-6-methyl-2-pyrimidinyl)-3-diazirinyl]thio]-3-oxo-N-phenylbutanamide IUPAC Name: 2-[1-(4-methoxy-6-methylpyrimidin-2-yl)diazirin-3-yl]sulfanyl-3-oxo-N-phenylbutanamide Traditional Name: 3-keto-2-[[1-(4-methoxy-6-methyl-pyrimidin-2-yl)diazirin-3-yl]thio]-N-phenyl-butyramide Formula: C17H17N5O3S MolecularWeight: 371.41358

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N5O3S/c1-10-9-13(25-3)20-16(18-10)22-17(21-22)26-14(11(2)23)15(24)19-12-7-5-4-6-8-12/h4-9,14H,1-3H3,(H,19,24)