3-(5,6-dimethyl-4-oxidanylidene-2-pyridin-3-yl-thieno[2,3-d]pyrimidin-3-yl)propanoate

Systemtic Name: 3-(5,6-dimethyl-4-oxidanylidene-2-pyridin-3-yl-thieno[2,3-d]pyrimidin-3-yl)propanoate Openeye Name: 3-[5,6-dimethyl-4-oxo-2-(3-pyridyl)thieno[2,3-d]pyrimidin-3-yl]propanoate CAS Name: 3-[5,6-dimethyl-4-oxo-2-(3-pyridinyl)-3-thieno[2,3-d]pyrimidinyl]propanoate IUPAC Name: 3-(5,6-dimethyl-4-oxo-2-pyridin-3-ylthieno[2,3-d]pyrimidin-3-yl)propanoate Traditional Name: 3-[4-keto-5,6-dimethyl-2-(3-pyridyl)thieno[2,3-d]pyrimidin-3-yl]propionate Formula: C16H14N3O3S- MolecularWeight: 328.36566

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)C3=CN=CC=C3)CCC(=O)[O-])C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)C3=CN=CC=C3)CCC(=O)[O-])C

InChI

InChI=1S/C16H15N3O3S/c1-9-10(2)23-15-13(9)16(22)19(7-5-12(20)21)14(18-15)11-4-3-6-17-8-11/h3-4,6,8H,5,7H2,1-2H3,(H,20,21)/p-1