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

Systemtic Name: ethyl 2-[[1-(2-azanyl-5-ethyl-6-methyl-pyrimidin-4-yl)-1,2-diazirin-3-yl]sulfanyl]-3-oxidanylidene-butanoate Openeye Name: ethyl 2-[1-(2-amino-5-ethyl-6-methyl-pyrimidin-4-yl)diazirin-3-yl]sulfanyl-3-oxo-butanoate CAS Name: 2-[[1-(2-amino-5-ethyl-6-methyl-4-pyrimidinyl)-3-diazirinyl]thio]-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 2-[1-(2-amino-5-ethyl-6-methylpyrimidin-4-yl)diazirin-3-yl]sulfanyl-3-oxobutanoate Traditional Name: 2-[[1-(2-amino-5-ethyl-6-methyl-pyrimidin-4-yl)diazirin-3-yl]thio]-3-keto-butyric acid ethyl ester Formula: C14H19N5O3S MolecularWeight: 337.39736

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=C(N=C1N2C(=N2)SC(C(=O)C)C(=O)OCC)N)C

Isomeric SMILES

CCC1=C(N=C(N=C1N2C(=N2)SC(C(=O)C)C(=O)OCC)N)C

InChI

InChI=1S/C14H19N5O3S/c1-5-9-7(3)16-13(15)17-11(9)19-14(18-19)23-10(8(4)20)12(21)22-6-2/h10H,5-6H2,1-4H3,(H2,15,16,17)