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

Systemtic Name: methyl 4-[(4-butoxycarbonylphenyl)amino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: methyl 4-(4-butoxycarbonylanilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-[4-[butoxy(oxo)methyl]anilino]-5-methyl-6-thieno[2,3-d]pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-butoxycarbonylanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-(4-butoxycarbonylanilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC2=C3C(=C(SC3=NC=N2)C(=O)OC)C

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC2=C3C(=C(SC3=NC=N2)C(=O)OC)C

InChI

InChI=1S/C20H21N3O4S/c1-4-5-10-27-19(24)13-6-8-14(9-7-13)23-17-15-12(2)16(20(25)26-3)28-18(15)22-11-21-17/h6-9,11H,4-5,10H2,1-3H3,(H,21,22,23)