N-(4-methoxyphenyl)-6-(3-methylpiperidin-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine

Systemtic Name: N-(4-methoxyphenyl)-6-(3-methylpiperidin-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: N-(4-methoxyphenyl)-6-(3-methyl-1-piperidyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: N-(4-methoxyphenyl)-6-(3-methyl-1-piperidinyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine IUPAC Name: N-(4-methoxyphenyl)-6-(3-methylpiperidin-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: (4-methoxyphenyl)-[6-(3-methylpiperidino)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amine Formula: C18H22N6O MolecularWeight: 338.40688

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=NC3=C(C=NN3)C(=N2)NC4=CC=C(C=C4)OC

Isomeric SMILES

CC1CCCN(C1)C2=NC3=C(C=NN3)C(=N2)NC4=CC=C(C=C4)OC

InChI

InChI=1S/C18H22N6O/c1-12-4-3-9-24(11-12)18-21-16(15-10-19-23-17(15)22-18)20-13-5-7-14(25-2)8-6-13/h5-8,10,12H,3-4,9,11H2,1-2H3,(H2,19,20,21,22,23)