(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 2-naphthalen-1-ylquinoline-4-carboxylate

Systemtic Name: (5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 2-naphthalen-1-ylquinoline-4-carboxylate Openeye Name: (5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 2-(1-naphthyl)quinoline-4-carboxylate CAS Name: 2-(1-naphthalenyl)-4-quinolinecarboxylic acid (5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl ester IUPAC Name: (5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 2-naphthalen-1-ylquinoline-4-carboxylate Traditional Name: 2-(1-naphthyl)cinchoninic acid (4-keto-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl ester Formula: C29H21N3O3S MolecularWeight: 491.56034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)COC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC6=CC=CC=C65)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)COC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC6=CC=CC=C65)C

InChI

InChI=1S/C29H21N3O3S/c1-16-17(2)36-28-26(16)27(33)31-25(32-28)15-35-29(34)22-14-24(30-23-13-6-5-11-21(22)23)20-12-7-9-18-8-3-4-10-19(18)20/h3-14H,15H2,1-2H3,(H,31,32,33)