2,5-dimethyl-4-[4-(3-methylphenyl)piperazin-1-yl]thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: 2,5-dimethyl-4-[4-(3-methylphenyl)piperazin-1-yl]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 2,5-dimethyl-4-[4-(m-tolyl)piperazin-1-yl]thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2,5-dimethyl-4-[4-(3-methylphenyl)-1-piperazinyl]-6-thieno[2,3-d]pyrimidinecarboxylate IUPAC Name: 2,5-dimethyl-4-[4-(3-methylphenyl)piperazin-1-yl]thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2,5-dimethyl-4-[4-(m-tolyl)piperazino]thieno[2,3-d]pyrimidine-6-carboxylate Formula: C20H21N4O2S- MolecularWeight: 381.47134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)C3=C4C(=C(SC4=NC(=N3)C)C(=O)[O-])C

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)C3=C4C(=C(SC4=NC(=N3)C)C(=O)[O-])C

InChI

InChI=1S/C20H22N4O2S/c1-12-5-4-6-15(11-12)23-7-9-24(10-8-23)18-16-13(2)17(20(25)26)27-19(16)22-14(3)21-18/h4-6,11H,7-10H2,1-3H3,(H,25,26)/p-1