N-(3-methoxypropyl)-1-methyl-6-[4-(phenylmethyl)piperazin-1-yl]pyrazolo[3,4-d]pyrimidin-4-amine

Systemtic Name: N-(3-methoxypropyl)-1-methyl-6-[4-(phenylmethyl)piperazin-1-yl]pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: 6-(4-benzylpiperazin-1-yl)-N-(3-methoxypropyl)-1-methyl-pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: N-(3-methoxypropyl)-1-methyl-6-[4-(phenylmethyl)-1-piperazinyl]-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: 6-(4-benzylpiperazin-1-yl)-N-(3-methoxypropyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: [6-(4-benzylpiperazino)-1-methyl-pyrazolo[3,4-d]pyrimidin-4-yl]-(3-methoxypropyl)amine Formula: C21H29N7O MolecularWeight: 395.50126

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC(=N2)N3CCN(CC3)CC4=CC=CC=C4)NCCCOC

Isomeric SMILES

CN1C2=C(C=N1)C(=NC(=N2)N3CCN(CC3)CC4=CC=CC=C4)NCCCOC

InChI

InChI=1S/C21H29N7O/c1-26-20-18(15-23-26)19(22-9-6-14-29-2)24-21(25-20)28-12-10-27(11-13-28)16-17-7-4-3-5-8-17/h3-5,7-8,15H,6,9-14,16H2,1-2H3,(H,22,24,25)