2-[[1-(2-azanyl-5-ethyl-6-methyl-pyrimidin-4-yl)-1,2-diazirin-3-yl]sulfanyl]-N-(3-methylphenyl)-3-oxidanylidene-butanamide

Systemtic Name: 2-[[1-(2-azanyl-5-ethyl-6-methyl-pyrimidin-4-yl)-1,2-diazirin-3-yl]sulfanyl]-N-(3-methylphenyl)-3-oxidanylidene-butanamide Openeye Name: 2-[1-(2-amino-5-ethyl-6-methyl-pyrimidin-4-yl)diazirin-3-yl]sulfanyl-N-(m-tolyl)-3-oxo-butanamide CAS Name: 2-[[1-(2-amino-5-ethyl-6-methyl-4-pyrimidinyl)-3-diazirinyl]thio]-N-(3-methylphenyl)-3-oxobutanamide IUPAC Name: 2-[1-(2-amino-5-ethyl-6-methylpyrimidin-4-yl)diazirin-3-yl]sulfanyl-N-(3-methylphenyl)-3-oxobutanamide Traditional Name: 2-[[1-(2-amino-5-ethyl-6-methyl-pyrimidin-4-yl)diazirin-3-yl]thio]-3-keto-N-(m-tolyl)butyramide Formula: C19H22N6O2S MolecularWeight: 398.48198

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=C(N=C1N2C(=N2)SC(C(=O)C)C(=O)NC3=CC=CC(=C3)C)N)C

Isomeric SMILES

CCC1=C(N=C(N=C1N2C(=N2)SC(C(=O)C)C(=O)NC3=CC=CC(=C3)C)N)C

InChI

InChI=1S/C19H22N6O2S/c1-5-14-11(3)21-18(20)23-16(14)25-19(24-25)28-15(12(4)26)17(27)22-13-8-6-7-10(2)9-13/h6-9,15H,5H2,1-4H3,(H,22,27)(H2,20,21,23)