[4-[3-(1-methylpyrazol-4-yl)phenyl]-1-(7H-purin-6-yl)piperidin-4-yl]methanamine

Systemtic Name: [4-[3-(1-methylpyrazol-4-yl)phenyl]-1-(7H-purin-6-yl)piperidin-4-yl]methanamine Openeye Name: [4-[3-(1-methylpyrazol-4-yl)phenyl]-1-(7H-purin-6-yl)-4-piperidyl]methanamine CAS Name: [4-[3-(1-methyl-4-pyrazolyl)phenyl]-1-(7H-purin-6-yl)-4-piperidinyl]methanamine IUPAC Name: [4-[3-(1-methylpyrazol-4-yl)phenyl]-1-(7H-purin-6-yl)piperidin-4-yl]methanamine Traditional Name: [4-[3-(1-methylpyrazol-4-yl)phenyl]-1-(7H-purin-6-yl)-4-piperidyl]methylamine Formula: C21H24N8 MolecularWeight: 388.46886

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C2=CC(=CC=C2)C3(CCN(CC3)C4=NC=NC5=C4NC=N5)CN

Isomeric SMILES

CN1C=C(C=N1)C2=CC(=CC=C2)C3(CCN(CC3)C4=NC=NC5=C4NC=N5)CN

InChI

InChI=1S/C21H24N8/c1-28-11-16(10-27-28)15-3-2-4-17(9-15)21(12-22)5-7-29(8-6-21)20-18-19(24-13-23-18)25-14-26-20/h2-4,9-11,13-14H,5-8,12,22H2,1H3,(H,23,24,25,26)