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

Systemtic Name: 2-methylpropyl 2-[(3,4-dimethoxyphenyl)methyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: isobutyl 2-[(3,4-dimethoxyphenyl)methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-[(3,4-dimethoxyphenyl)methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 2-[(3,4-dimethoxyphenyl)methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-5-methyl-2-veratryl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid isobutyl ester Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)CC3=CC(=C(C=C3)OC)OC)C(=O)OCC(C)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)CC3=CC(=C(C=C3)OC)OC)C(=O)OCC(C)C

InChI

InChI=1S/C21H24N2O5S/c1-11(2)10-28-21(25)18-12(3)17-19(24)22-16(23-20(17)29-18)9-13-6-7-14(26-4)15(8-13)27-5/h6-8,11H,9-10H2,1-5H3,(H,22,23,24)