1-phenyl-6-propyl-4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]pyrazolo[3,4-d]pyrimidine

Systemtic Name: 1-phenyl-6-propyl-4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]pyrazolo[3,4-d]pyrimidine Openeye Name: 1-phenyl-6-propyl-4-[4-(2-thienylmethyl)piperazin-1-yl]pyrazolo[3,4-d]pyrimidine CAS Name: 1-phenyl-6-propyl-4-[4-(thiophen-2-ylmethyl)-1-piperazinyl]pyrazolo[3,4-d]pyrimidine IUPAC Name: 1-phenyl-6-propyl-4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]pyrazolo[3,4-d]pyrimidine Traditional Name: 1-phenyl-6-propyl-4-[4-(2-thenyl)piperazino]pyrazolo[3,4-d]pyrimidine Formula: C23H26N6S MolecularWeight: 418.55774

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)N4CCN(CC4)CC5=CC=CS5

Isomeric SMILES

CCCC1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)N4CCN(CC4)CC5=CC=CS5

InChI

InChI=1S/C23H26N6S/c1-2-7-21-25-22(28-13-11-27(12-14-28)17-19-10-6-15-30-19)20-16-24-29(23(20)26-21)18-8-4-3-5-9-18/h3-6,8-10,15-16H,2,7,11-14,17H2,1H3