5-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-phenyl-prop-2-enyl]-1H-pyrazolo[3,4-d]pyrimidine-4-thione

Systemtic Name: 5-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-phenyl-prop-2-enyl]-1H-pyrazolo[3,4-d]pyrimidine-4-thione Openeye Name: 5-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-phenyl-allyl]-1H-pyrazolo[3,4-d]pyrimidine-4-thione CAS Name: 5-[2-[4-(4-methoxyphenyl)-1-piperazinyl]-1-phenylprop-2-enyl]-1H-pyrazolo[3,4-d]pyrimidine-4-thione IUPAC Name: 5-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-phenylprop-2-enyl]-1H-pyrazolo[3,4-d]pyrimidine-4-thione Traditional Name: 5-[2-[4-(4-methoxyphenyl)piperazino]-1-phenyl-allyl]-1H-pyrazolo[3,4-d]pyrimidine-4-thione Formula: C25H26N6OS MolecularWeight: 458.57854

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C(=C)C(C3=CC=CC=C3)N4C=NC5=C(C4=S)C=NN5

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C(=C)C(C3=CC=CC=C3)N4C=NC5=C(C4=S)C=NN5

InChI

InChI=1S/C25H26N6OS/c1-18(29-12-14-30(15-13-29)20-8-10-21(32-2)11-9-20)23(19-6-4-3-5-7-19)31-17-26-24-22(25(31)33)16-27-28-24/h3-11,16-17,23H,1,12-15H2,2H3,(H,27,28)