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

Systemtic Name: 4-[4-(dithiophen-2-ylmethyl)piperazin-1-yl]-1-phenyl-pyrazolo[3,4-d]pyrimidine Openeye Name: 4-[4-[bis(2-thienyl)methyl]piperazin-1-yl]-1-phenyl-pyrazolo[3,4-d]pyrimidine CAS Name: 4-[4-(dithiophen-2-ylmethyl)-1-piperazinyl]-1-phenylpyrazolo[3,4-d]pyrimidine IUPAC Name: 4-[4-(dithiophen-2-ylmethyl)piperazin-1-yl]-1-phenylpyrazolo[3,4-d]pyrimidine Traditional Name: 4-[4-[bis(2-thienyl)methyl]piperazino]-1-phenyl-pyrazolo[3,4-d]pyrimidine Formula: C24H22N6S2 MolecularWeight: 458.60168

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=NC3=C2C=NN3C4=CC=CC=C4)C(C5=CC=CS5)C6=CC=CS6

Isomeric SMILES

C1CN(CCN1C2=NC=NC3=C2C=NN3C4=CC=CC=C4)C(C5=CC=CS5)C6=CC=CS6

InChI

InChI=1S/C24H22N6S2/c1-2-6-18(7-3-1)30-24-19(16-27-30)23(25-17-26-24)29-12-10-28(11-13-29)22(20-8-4-14-31-20)21-9-5-15-32-21/h1-9,14-17,22H,10-13H2