2-methylpropyl 4-[(4-butoxyphenyl)amino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: 2-methylpropyl 4-[(4-butoxyphenyl)amino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: isobutyl 4-(4-butoxyanilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-(4-butoxyanilino)-5-methyl-6-thieno[2,3-d]pyrimidinecarboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-(4-butoxyanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-(4-butoxyanilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid isobutyl ester Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC2=C3C(=C(SC3=NC=N2)C(=O)OCC(C)C)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC2=C3C(=C(SC3=NC=N2)C(=O)OCC(C)C)C

InChI

InChI=1S/C22H27N3O3S/c1-5-6-11-27-17-9-7-16(8-10-17)25-20-18-15(4)19(22(26)28-12-14(2)3)29-21(18)24-13-23-20/h7-10,13-14H,5-6,11-12H2,1-4H3,(H,23,24,25)