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

Systemtic Name: ethyl 2-[[1-(2-azanyl-6-methyl-pyrimidin-4-yl)-1,2-diazirin-3-yl]sulfanyl]-3-oxidanylidene-butanoate Openeye Name: ethyl 2-[1-(2-amino-6-methyl-pyrimidin-4-yl)diazirin-3-yl]sulfanyl-3-oxo-butanoate CAS Name: 2-[[1-(2-amino-6-methyl-4-pyrimidinyl)-3-diazirinyl]thio]-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 2-[1-(2-amino-6-methylpyrimidin-4-yl)diazirin-3-yl]sulfanyl-3-oxobutanoate Traditional Name: 2-[[1-(2-amino-6-methyl-pyrimidin-4-yl)diazirin-3-yl]thio]-3-keto-butyric acid ethyl ester Formula: C12H15N5O3S MolecularWeight: 309.3442

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)C)SC1=NN1C2=NC(=NC(=C2)C)N

Isomeric SMILES

CCOC(=O)C(C(=O)C)SC1=NN1C2=NC(=NC(=C2)C)N

InChI

InChI=1S/C12H15N5O3S/c1-4-20-10(19)9(7(3)18)21-12-16-17(12)8-5-6(2)14-11(13)15-8/h5,9H,4H2,1-3H3,(H2,13,14,15)