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

Systemtic Name: methyl 4-[4-(3-methoxyphenyl)carbonylpiperazin-1-yl]-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: methyl 4-[4-(3-methoxybenzoyl)piperazin-1-yl]-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-[4-[(3-methoxyphenyl)-oxomethyl]-1-piperazinyl]-2,5-dimethyl-6-thieno[2,3-d]pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 4-[4-(3-methoxybenzoyl)piperazin-1-yl]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-(4-m-anisoylpiperazino)-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester Formula: C22H24N4O4S MolecularWeight: 440.51536

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N4O4S/c1-13-17-19(23-14(2)24-20(17)31-18(13)22(28)30-4)25-8-10-26(11-9-25)21(27)15-6-5-7-16(12-15)29-3/h5-7,12H,8-11H2,1-4H3