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

Systemtic Name: methyl 4-methyl-2-[3-(4-oxidanylidenethieno[2,3-d]pyrimidin-3-yl)propanoylamino]pentanoate Openeye Name: methyl 4-methyl-2-[3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanoylamino]pentanoate CAS Name: 4-methyl-2-[[1-oxo-3-(4-oxo-3-thieno[2,3-d]pyrimidinyl)propyl]amino]pentanoic acid methyl ester IUPAC Name: methyl 4-methyl-2-[3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanoylamino]pentanoate Traditional Name: 2-[3-(4-ketothieno[2,3-d]pyrimidin-3-yl)propanoylamino]-4-methyl-valeric acid methyl ester Formula: C16H21N3O4S MolecularWeight: 351.42064

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC)NC(=O)CCN1C=NC2=C(C1=O)C=CS2

Isomeric SMILES

CC(C)CC(C(=O)OC)NC(=O)CCN1C=NC2=C(C1=O)C=CS2

InChI

InChI=1S/C16H21N3O4S/c1-10(2)8-12(16(22)23-3)18-13(20)4-6-19-9-17-14-11(15(19)21)5-7-24-14/h5,7,9-10,12H,4,6,8H2,1-3H3,(H,18,20)