ethyl 3-[(2-chloranylquinolin-3-yl)methyl]-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 3-[(2-chloranylquinolin-3-yl)methyl]-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 3-[(2-chloro-3-quinolyl)methyl]-5-methyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 3-[(2-chloro-3-quinolinyl)methyl]-5-methyl-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(2-chloroquinolin-3-yl)methyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 3-[(2-chloro-3-quinolyl)methyl]-4-keto-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C20H16ClN3O3S MolecularWeight: 413.87734

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)N=CN(C2=O)CC3=CC4=CC=CC=C4N=C3Cl)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N=CN(C2=O)CC3=CC4=CC=CC=C4N=C3Cl)C

InChI

InChI=1S/C20H16ClN3O3S/c1-3-27-20(26)16-11(2)15-18(28-16)22-10-24(19(15)25)9-13-8-12-6-4-5-7-14(12)23-17(13)21/h4-8,10H,3,9H2,1-2H3