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

Systemtic Name: (4-butoxycarbonylphenyl) 3-[(2-chlorophenyl)methyl]-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: (4-butoxycarbonylphenyl) 3-[(2-chlorophenyl)methyl]-5-methyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 3-[(2-chlorophenyl)methyl]-5-methyl-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid [4-[butoxy(oxo)methyl]phenyl] ester IUPAC Name: (4-butoxycarbonylphenyl) 3-[(2-chlorophenyl)methyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 3-(2-chlorobenzyl)-4-keto-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid (4-butoxycarbonylphenyl) ester Formula: C26H23ClN2O5S MolecularWeight: 510.98922

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)OC(=O)C2=C(C3=C(S2)N=CN(C3=O)CC4=CC=CC=C4Cl)C

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)OC(=O)C2=C(C3=C(S2)N=CN(C3=O)CC4=CC=CC=C4Cl)C

InChI

InChI=1S/C26H23ClN2O5S/c1-3-4-13-33-25(31)17-9-11-19(12-10-17)34-26(32)22-16(2)21-23(35-22)28-15-29(24(21)30)14-18-7-5-6-8-20(18)27/h5-12,15H,3-4,13-14H2,1-2H3