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

Systemtic Name: 2,5-dimethyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 2,5-dimethyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2,5-dimethyl-4-(4-phenyl-1-piperazinyl)-6-thieno[2,3-d]pyrimidinecarboxylate IUPAC Name: 2,5-dimethyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2,5-dimethyl-4-(4-phenylpiperazino)thieno[2,3-d]pyrimidine-6-carboxylate Formula: C19H19N4O2S- MolecularWeight: 367.44476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)N3CCN(CC3)C4=CC=CC=C4)C)C(=O)[O-]

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)N3CCN(CC3)C4=CC=CC=C4)C)C(=O)[O-]

InChI

InChI=1S/C19H20N4O2S/c1-12-15-17(20-13(2)21-18(15)26-16(12)19(24)25)23-10-8-22(9-11-23)14-6-4-3-5-7-14/h3-7H,8-11H2,1-2H3,(H,24,25)/p-1