[4-[4-azanyl-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-4-methyl-piperazin-4-ium-1-yl]-piperidin-1-yl-methanone

Systemtic Name: [4-[4-azanyl-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-4-methyl-piperazin-4-ium-1-yl]-piperidin-1-yl-methanone Openeye Name: [4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-4-methyl-piperazin-4-ium-1-yl]-(1-piperidyl)methanone CAS Name: [4-[4-amino-3-(4-phenoxyphenyl)-1-pyrazolo[3,4-d]pyrimidinyl]-4-methyl-1-piperazin-4-iumyl]-(1-piperidinyl)methanone IUPAC Name: [4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-4-methylpiperazin-4-ium-1-yl]-piperidin-1-ylmethanone Traditional Name: [4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-4-methyl-piperazin-4-ium-1-yl]-piperidino-methanone Formula: C28H33N8O2+ MolecularWeight: 513.61402

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCN(CC1)C(=O)N2CCCCC2)N3C4=C(C(=N3)C5=CC=C(C=C5)OC6=CC=CC=C6)C(=NC=N4)N

Isomeric SMILES

C[N+]1(CCN(CC1)C(=O)N2CCCCC2)N3C4=C(C(=N3)C5=CC=C(C=C5)OC6=CC=CC=C6)C(=NC=N4)N

InChI

InChI=1S/C28H33N8O2/c1-36(18-16-34(17-19-36)28(37)33-14-6-3-7-15-33)35-27-24(26(29)30-20-31-27)25(32-35)21-10-12-23(13-11-21)38-22-8-4-2-5-9-22/h2,4-5,8-13,20H,3,6-7,14-19H2,1H3,(H2,29,30,31)/q+1