4-[4-(6,11-dihydrobenzo[c][1]benzothiepin-11-yl)piperazin-1-yl]-1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidine-6-carboximidamide

Systemtic Name: 4-[4-(6,11-dihydrobenzo[c][1]benzothiepin-11-yl)piperazin-1-yl]-1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidine-6-carboximidamide Openeye Name: 4-[4-(6,11-dihydrobenzo[c][1]benzothiepin-11-yl)piperazin-1-yl]-1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidine-6-carboxamidine CAS Name: 4-[4-(6,11-dihydrobenzo[c][1]benzothiepin-11-yl)-1-piperazinyl]-1-(4-methoxyphenyl)-6-pyrazolo[3,4-d]pyrimidinecarboximidamide IUPAC Name: 4-[4-(6,11-dihydrobenzo[c][1]benzothiepin-11-yl)piperazin-1-yl]-1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidine-6-carboximidamide Traditional Name: 4-[4-(6,11-dihydrobenzo[c][1]benzothiepin-11-yl)piperazino]-1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidine-6-carboxamidine Formula: C31H30N8OS MolecularWeight: 562.6879

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C3=C(C=N2)C(=NC(=N3)C(=N)N)N4CCN(CC4)C5C6=CC=CC=C6CSC7=CC=CC=C57

Isomeric SMILES

COC1=CC=C(C=C1)N2C3=C(C=N2)C(=NC(=N3)C(=N)N)N4CCN(CC4)C5C6=CC=CC=C6CSC7=CC=CC=C57

InChI

InChI=1S/C31H30N8OS/c1-40-22-12-10-21(11-13-22)39-31-25(18-34-39)30(35-29(36-31)28(32)33)38-16-14-37(15-17-38)27-23-7-3-2-6-20(23)19-41-26-9-5-4-8-24(26)27/h2-13,18,27H,14-17,19H2,1H3,(H3,32,33)