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

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

CCC1=CC2=C(S1)N=CN(C2=O)CC3=NC4=CC=CC=C4C(=C3C(=O)OC)C

Isomeric SMILES

CCC1=CC2=C(S1)N=CN(C2=O)CC3=NC4=CC=CC=C4C(=C3C(=O)OC)C

InChI

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