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

Systemtic Name: 3-iodanyl-1-[[8-methyl-2-(3-methylphenyl)quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: 3-iodo-1-[[8-methyl-2-(m-tolyl)-3-quinolyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: 3-iodo-1-[[8-methyl-2-(3-methylphenyl)-3-quinolinyl]methyl]-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: 3-iodo-1-[[8-methyl-2-(3-methylphenyl)quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: [3-iodo-1-[[8-methyl-2-(m-tolyl)-3-quinolyl]methyl]pyrazolo[3,4-d]pyrimidin-4-yl]amine Formula: C23H19IN6 MolecularWeight: 506.34163

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=C(C=C3C=CC=C(C3=N2)C)CN4C5=C(C(=NC=N5)N)C(=N4)I

Isomeric SMILES

CC1=CC=CC(=C1)C2=C(C=C3C=CC=C(C3=N2)C)CN4C5=C(C(=NC=N5)N)C(=N4)I

InChI

InChI=1S/C23H19IN6/c1-13-5-3-7-15(9-13)20-17(10-16-8-4-6-14(2)19(16)28-20)11-30-23-18(21(24)29-30)22(25)26-12-27-23/h3-10,12H,11H2,1-2H3,(H2,25,26,27)