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

Systemtic Name: cyclohexyl 4-[(3-butoxycarbonylphenyl)amino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: cyclohexyl 4-(3-butoxycarbonylanilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-[3-[butoxy(oxo)methyl]anilino]-5-methyl-6-thieno[2,3-d]pyrimidinecarboxylic acid cyclohexyl ester IUPAC Name: cyclohexyl 4-(3-butoxycarbonylanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-(3-butoxycarbonylanilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid cyclohexyl ester Formula: C25H29N3O4S MolecularWeight: 467.58046

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC(=CC=C1)NC2=C3C(=C(SC3=NC=N2)C(=O)OC4CCCCC4)C

Isomeric SMILES

CCCCOC(=O)C1=CC(=CC=C1)NC2=C3C(=C(SC3=NC=N2)C(=O)OC4CCCCC4)C

InChI

InChI=1S/C25H29N3O4S/c1-3-4-13-31-24(29)17-9-8-10-18(14-17)28-22-20-16(2)21(33-23(20)27-15-26-22)25(30)32-19-11-6-5-7-12-19/h8-10,14-15,19H,3-7,11-13H2,1-2H3,(H,26,27,28)