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

Systemtic Name: 2-[[1-(2-azanyl-5-butyl-6-methyl-pyrimidin-4-yl)-1,2-diazirin-3-yl]sulfanyl]-3-oxidanylidene-N-phenyl-butanamide Openeye Name: 2-[1-(2-amino-5-butyl-6-methyl-pyrimidin-4-yl)diazirin-3-yl]sulfanyl-3-oxo-N-phenyl-butanamide CAS Name: 2-[[1-(2-amino-5-butyl-6-methyl-4-pyrimidinyl)-3-diazirinyl]thio]-3-oxo-N-phenylbutanamide IUPAC Name: 2-[1-(2-amino-5-butyl-6-methylpyrimidin-4-yl)diazirin-3-yl]sulfanyl-3-oxo-N-phenylbutanamide Traditional Name: 2-[[1-(2-amino-5-butyl-6-methyl-pyrimidin-4-yl)diazirin-3-yl]thio]-3-keto-N-phenyl-butyramide Formula: C20H24N6O2S MolecularWeight: 412.50856

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N=C(N=C1N2C(=N2)SC(C(=O)C)C(=O)NC3=CC=CC=C3)N)C

Isomeric SMILES

CCCCC1=C(N=C(N=C1N2C(=N2)SC(C(=O)C)C(=O)NC3=CC=CC=C3)N)C

InChI

InChI=1S/C20H24N6O2S/c1-4-5-11-15-12(2)22-19(21)24-17(15)26-20(25-26)29-16(13(3)27)18(28)23-14-9-7-6-8-10-14/h6-10,16H,4-5,11H2,1-3H3,(H,23,28)(H2,21,22,24)