propan-2-yl 4-[(3,4-diethoxyphenyl)amino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: propan-2-yl 4-[(3,4-diethoxyphenyl)amino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: isopropyl 4-(3,4-diethoxyanilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-(3,4-diethoxyanilino)-5-methyl-6-thieno[2,3-d]pyrimidinecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-(3,4-diethoxyanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-(3,4-diethoxyanilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid isopropyl ester Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC2=C3C(=C(SC3=NC=N2)C(=O)OC(C)C)C)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC2=C3C(=C(SC3=NC=N2)C(=O)OC(C)C)C)OCC

InChI

InChI=1S/C21H25N3O4S/c1-6-26-15-9-8-14(10-16(15)27-7-2)24-19-17-13(5)18(21(25)28-12(3)4)29-20(17)23-11-22-19/h8-12H,6-7H2,1-5H3,(H,22,23,24)