methyl 3-methyl-2-[2-(4-oxidanylidenethieno[2,3-d]pyrimidin-3-yl)ethanoylamino]pentanoate

Systemtic Name: methyl 3-methyl-2-[2-(4-oxidanylidenethieno[2,3-d]pyrimidin-3-yl)ethanoylamino]pentanoate Openeye Name: methyl 3-methyl-2-[[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]pentanoate CAS Name: 3-methyl-2-[[1-oxo-2-(4-oxo-3-thieno[2,3-d]pyrimidinyl)ethyl]amino]pentanoic acid methyl ester IUPAC Name: methyl 3-methyl-2-[[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]pentanoate Traditional Name: 2-[[2-(4-ketothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]-3-methyl-valeric acid methyl ester Formula: C15H19N3O4S MolecularWeight: 337.39406

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC)NC(=O)CN1C=NC2=C(C1=O)C=CS2

Isomeric SMILES

CCC(C)C(C(=O)OC)NC(=O)CN1C=NC2=C(C1=O)C=CS2

InChI

InChI=1S/C15H19N3O4S/c1-4-9(2)12(15(21)22-3)17-11(19)7-18-8-16-13-10(14(18)20)5-6-23-13/h5-6,8-9,12H,4,7H2,1-3H3,(H,17,19)