3-iodanyl-1-[[8-methyl-2-(4-methylpiperazin-1-yl)quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine

Systemtic Name: 3-iodanyl-1-[[8-methyl-2-(4-methylpiperazin-1-yl)quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: 3-iodo-1-[[8-methyl-2-(4-methylpiperazin-1-yl)-3-quinolyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: 3-iodo-1-[[8-methyl-2-(4-methyl-1-piperazinyl)-3-quinolinyl]methyl]-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: 3-iodo-1-[[8-methyl-2-(4-methylpiperazin-1-yl)quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: [3-iodo-1-[[8-methyl-2-(4-methylpiperazino)-3-quinolyl]methyl]pyrazolo[3,4-d]pyrimidin-4-yl]amine Formula: C21H23IN8 MolecularWeight: 514.36539

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=CC(=C(N=C12)N3CCN(CC3)C)CN4C5=C(C(=NC=N5)N)C(=N4)I

Isomeric SMILES

CC1=CC=CC2=CC(=C(N=C12)N3CCN(CC3)C)CN4C5=C(C(=NC=N5)N)C(=N4)I

InChI

InChI=1S/C21H23IN8/c1-13-4-3-5-14-10-15(20(26-17(13)14)29-8-6-28(2)7-9-29)11-30-21-16(18(22)27-30)19(23)24-12-25-21/h3-5,10,12H,6-9,11H2,1-2H3,(H2,23,24,25)