methyl 2-[(5,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl)methyl]-4-methyl-quinoline-3-carboxylate

Systemtic Name: methyl 2-[(5,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl)methyl]-4-methyl-quinoline-3-carboxylate Openeye Name: methyl 2-[(5,6-dimethyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl)methyl]-4-methyl-quinoline-3-carboxylate CAS Name: 2-[(5,6-dimethyl-4-oxo-3-thieno[2,3-d]pyrimidinyl)methyl]-4-methyl-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]-4-methylquinoline-3-carboxylate Traditional Name: 2-[(4-keto-5,6-dimethyl-thieno[2,3-d]pyrimidin-3-yl)methyl]-4-methyl-quinoline-3-carboxylic acid methyl ester Formula: C21H19N3O3S MolecularWeight: 393.45886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C=N2)CC3=NC4=CC=CC=C4C(=C3C(=O)OC)C)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C=N2)CC3=NC4=CC=CC=C4C(=C3C(=O)OC)C)C

InChI

InChI=1S/C21H19N3O3S/c1-11-13(3)28-19-18(11)20(25)24(10-22-19)9-16-17(21(26)27-4)12(2)14-7-5-6-8-15(14)23-16/h5-8,10H,9H2,1-4H3