2-methylpropyl 5-methyl-2-(naphthalen-1-ylmethyl)-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: 2-methylpropyl 5-methyl-2-(naphthalen-1-ylmethyl)-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: isobutyl 5-methyl-2-(1-naphthylmethyl)-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-2-(1-naphthalenylmethyl)-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 5-methyl-2-(naphthalen-1-ylmethyl)-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-5-methyl-2-(1-naphthylmethyl)-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid isobutyl ester Formula: C23H22N2O3S MolecularWeight: 406.49738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)CC3=CC=CC4=CC=CC=C43)C(=O)OCC(C)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)CC3=CC=CC4=CC=CC=C43)C(=O)OCC(C)C

InChI

InChI=1S/C23H22N2O3S/c1-13(2)12-28-23(27)20-14(3)19-21(26)24-18(25-22(19)29-20)11-16-9-6-8-15-7-4-5-10-17(15)16/h4-10,13H,11-12H2,1-3H3,(H,24,25,26)