methyl 5-methyl-2-phenyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: methyl 5-methyl-2-phenyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: methyl 5-methyl-2-phenyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-2-phenyl-4-(4-phenyl-1-piperazinyl)-6-thieno[2,3-d]pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 5-methyl-2-phenyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 5-methyl-2-phenyl-4-(4-phenylpiperazino)thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester Formula: C25H24N4O2S MolecularWeight: 444.54866

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)N3CCN(CC3)C4=CC=CC=C4)C5=CC=CC=C5)C(=O)OC

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)N3CCN(CC3)C4=CC=CC=C4)C5=CC=CC=C5)C(=O)OC

InChI

InChI=1S/C25H24N4O2S/c1-17-20-23(29-15-13-28(14-16-29)19-11-7-4-8-12-19)26-22(18-9-5-3-6-10-18)27-24(20)32-21(17)25(30)31-2/h3-12H,13-16H2,1-2H3