5-[1-phenyl-2-(4-pyridin-2-ylpiperazin-1-yl)prop-2-enyl]-4-sulfanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-3-one

Systemtic Name: 5-[1-phenyl-2-(4-pyridin-2-ylpiperazin-1-yl)prop-2-enyl]-4-sulfanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-3-one Openeye Name: 5-[1-phenyl-2-[4-(2-pyridyl)piperazin-1-yl]allyl]-4-thioxo-1,2-dihydropyrazolo[3,4-d]pyrimidin-3-one CAS Name: 5-[1-phenyl-2-[4-(2-pyridinyl)-1-piperazinyl]prop-2-enyl]-4-sulfanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-3-one IUPAC Name: 5-[1-phenyl-2-(4-pyridin-2-ylpiperazin-1-yl)prop-2-enyl]-4-sulfanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-3-one Traditional Name: 5-[1-phenyl-2-[4-(2-pyridyl)piperazino]allyl]-4-thioxo-1,2-dihydropyrazolo[3,4-d]pyrimidin-3-one Formula: C23H23N7OS MolecularWeight: 445.54002

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Descriptors Computed from Structure

Canonical SMILES:

C=C(C(C1=CC=CC=C1)N2C=NC3=C(C2=S)C(=O)NN3)N4CCN(CC4)C5=CC=CC=N5

Isomeric SMILES

C=C(C(C1=CC=CC=C1)N2C=NC3=C(C2=S)C(=O)NN3)N4CCN(CC4)C5=CC=CC=N5

InChI

InChI=1S/C23H23N7OS/c1-16(28-11-13-29(14-12-28)18-9-5-6-10-24-18)20(17-7-3-2-4-8-17)30-15-25-21-19(23(30)32)22(31)27-26-21/h2-10,15,20H,1,11-14H2,(H2,26,27,31)