methyl 2,5-dimethyl-4-[4-(4-propan-2-ylphenyl)carbonylpiperazin-1-yl]thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: methyl 2,5-dimethyl-4-[4-(4-propan-2-ylphenyl)carbonylpiperazin-1-yl]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: methyl 4-[4-(4-isopropylbenzoyl)piperazin-1-yl]-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2,5-dimethyl-4-[4-[oxo-(4-propan-2-ylphenyl)methyl]-1-piperazinyl]-6-thieno[2,3-d]pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 2,5-dimethyl-4-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-(4-cumoylpiperazino)-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester Formula: C24H28N4O3S MolecularWeight: 452.56912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)N3CCN(CC3)C(=O)C4=CC=C(C=C4)C(C)C)C)C(=O)OC

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)N3CCN(CC3)C(=O)C4=CC=C(C=C4)C(C)C)C)C(=O)OC

InChI

InChI=1S/C24H28N4O3S/c1-14(2)17-6-8-18(9-7-17)23(29)28-12-10-27(11-13-28)21-19-15(3)20(24(30)31-5)32-22(19)26-16(4)25-21/h6-9,14H,10-13H2,1-5H3