methyl 2-(6-methyl-4-oxidanylidene-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)butanoate

Systemtic Name: methyl 2-(6-methyl-4-oxidanylidene-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)butanoate Openeye Name: methyl 2-(6-methyl-4-oxo-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)butanoate CAS Name: 2-(6-methyl-4-oxo-5-phenyl-3-thieno[2,3-d]pyrimidinyl)butanoic acid methyl ester IUPAC Name: methyl 2-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)butanoate Traditional Name: 2-(4-keto-6-methyl-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)butyric acid methyl ester Formula: C18H18N2O3S MolecularWeight: 342.41212

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OC)N1C=NC2=C(C1=O)C(=C(S2)C)C3=CC=CC=C3

Isomeric SMILES

CCC(C(=O)OC)N1C=NC2=C(C1=O)C(=C(S2)C)C3=CC=CC=C3

InChI

InChI=1S/C18H18N2O3S/c1-4-13(18(22)23-3)20-10-19-16-15(17(20)21)14(11(2)24-16)12-8-6-5-7-9-12/h5-10,13H,4H2,1-3H3