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

Systemtic Name: ethyl 2-[[1-(2-azanyl-5-butyl-6-methyl-pyrimidin-4-yl)-1,2-diazirin-3-yl]sulfanyl]-3-oxidanylidene-butanoate Openeye Name: ethyl 2-[1-(2-amino-5-butyl-6-methyl-pyrimidin-4-yl)diazirin-3-yl]sulfanyl-3-oxo-butanoate CAS Name: 2-[[1-(2-amino-5-butyl-6-methyl-4-pyrimidinyl)-3-diazirinyl]thio]-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 2-[1-(2-amino-5-butyl-6-methylpyrimidin-4-yl)diazirin-3-yl]sulfanyl-3-oxobutanoate Traditional Name: 2-[[1-(2-amino-5-butyl-6-methyl-pyrimidin-4-yl)diazirin-3-yl]thio]-3-keto-butyric acid ethyl ester Formula: C16H23N5O3S MolecularWeight: 365.45052

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N=C(N=C1N2C(=N2)SC(C(=O)C)C(=O)OCC)N)C

Isomeric SMILES

CCCCC1=C(N=C(N=C1N2C(=N2)SC(C(=O)C)C(=O)OCC)N)C

InChI

InChI=1S/C16H23N5O3S/c1-5-7-8-11-9(3)18-15(17)19-13(11)21-16(20-21)25-12(10(4)22)14(23)24-6-2/h12H,5-8H2,1-4H3,(H2,17,18,19)