4-[4-azanyl-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexan-1-one

Systemtic Name: 4-[4-azanyl-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexan-1-one Openeye Name: 4-[4-amino-3-(p-tolyl)pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexanone CAS Name: 4-[4-amino-3-(4-methylphenyl)-1-pyrazolo[3,4-d]pyrimidinyl]-1-cyclohexanone IUPAC Name: 4-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexan-1-one Traditional Name: 4-[4-amino-3-(p-tolyl)pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexanone Formula: C18H19N5O MolecularWeight: 321.37636

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C3=C2C(=NC=N3)N)C4CCC(=O)CC4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C3=C2C(=NC=N3)N)C4CCC(=O)CC4

InChI

InChI=1S/C18H19N5O/c1-11-2-4-12(5-3-11)16-15-17(19)20-10-21-18(15)23(22-16)13-6-8-14(24)9-7-13/h2-5,10,13H,6-9H2,1H3,(H2,19,20,21)