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

Systemtic Name: ethyl 2,5-dimethyl-4-[4-(4-propan-2-ylphenyl)carbonylpiperazin-1-yl]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C25H30N4O3S MolecularWeight: 466.5957

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)C)N3CCN(CC3)C(=O)C4=CC=C(C=C4)C(C)C)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)C)N3CCN(CC3)C(=O)C4=CC=C(C=C4)C(C)C)C

InChI

InChI=1S/C25H30N4O3S/c1-6-32-25(31)21-16(4)20-22(26-17(5)27-23(20)33-21)28-11-13-29(14-12-28)24(30)19-9-7-18(8-10-19)15(2)3/h7-10,15H,6,11-14H2,1-5H3