2-methylpropyl 5-methyl-4-oxidanylidene-2-phenyl-3H-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: 2-methylpropyl 5-methyl-4-oxidanylidene-2-phenyl-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: isobutyl 5-methyl-4-oxo-2-phenyl-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-oxo-2-phenyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 5-methyl-4-oxo-2-phenyl-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-5-methyl-2-phenyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid isobutyl ester Formula: C18H18N2O3S MolecularWeight: 342.41212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)C3=CC=CC=C3)C(=O)OCC(C)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)C3=CC=CC=C3)C(=O)OCC(C)C

InChI

InChI=1S/C18H18N2O3S/c1-10(2)9-23-18(22)14-11(3)13-16(21)19-15(20-17(13)24-14)12-7-5-4-6-8-12/h4-8,10H,9H2,1-3H3,(H,19,20,21)