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

Systemtic Name: methyl 5-methyl-4-[[4-(2-methylpropoxycarbonyl)phenyl]amino]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: methyl 4-(4-isobutoxycarbonylanilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-[4-[2-methylpropoxy(oxo)methyl]anilino]-6-thieno[2,3-d]pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 5-methyl-4-[4-(2-methylpropoxycarbonyl)anilino]thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-(4-isobutoxycarbonylanilino)-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:

CC1=C(SC2=NC=NC(=C12)NC3=CC=C(C=C3)C(=O)OCC(C)C)C(=O)OC

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)NC3=CC=C(C=C3)C(=O)OCC(C)C)C(=O)OC

InChI

InChI=1S/C20H21N3O4S/c1-11(2)9-27-19(24)13-5-7-14(8-6-13)23-17-15-12(3)16(20(25)26-4)28-18(15)22-10-21-17/h5-8,10-11H,9H2,1-4H3,(H,21,22,23)