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

Systemtic Name: 3-[2,6-dimethyl-5-(4-methylphenyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]propanoate Openeye Name: 3-[2,6-dimethyl-4-oxo-5-(p-tolyl)thieno[2,3-d]pyrimidin-3-yl]propanoate CAS Name: 3-[2,6-dimethyl-5-(4-methylphenyl)-4-oxo-3-thieno[2,3-d]pyrimidinyl]propanoate IUPAC Name: 3-[2,6-dimethyl-5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]propanoate Traditional Name: 3-[4-keto-2,6-dimethyl-5-(p-tolyl)thieno[2,3-d]pyrimidin-3-yl]propionate Formula: C18H17N2O3S- MolecularWeight: 341.40418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(SC3=C2C(=O)N(C(=N3)C)CCC(=O)[O-])C

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(SC3=C2C(=O)N(C(=N3)C)CCC(=O)[O-])C

InChI

InChI=1S/C18H18N2O3S/c1-10-4-6-13(7-5-10)15-11(2)24-17-16(15)18(23)20(12(3)19-17)9-8-14(21)22/h4-7H,8-9H2,1-3H3,(H,21,22)/p-1