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

Systemtic Name: N-methyl-1-[4-[3-(1-methylpyrazol-4-yl)phenyl]-1-(7H-purin-6-yl)piperidin-4-yl]methanamine Openeye Name: N-methyl-1-[4-[3-(1-methylpyrazol-4-yl)phenyl]-1-(7H-purin-6-yl)-4-piperidyl]methanamine CAS Name: N-methyl-1-[4-[3-(1-methyl-4-pyrazolyl)phenyl]-1-(7H-purin-6-yl)-4-piperidinyl]methanamine IUPAC Name: N-methyl-1-[4-[3-(1-methylpyrazol-4-yl)phenyl]-1-(7H-purin-6-yl)piperidin-4-yl]methanamine Traditional Name: methyl-[[4-[3-(1-methylpyrazol-4-yl)phenyl]-1-(7H-purin-6-yl)-4-piperidyl]methyl]amine Formula: C22H26N8 MolecularWeight: 402.49544

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Descriptors Computed from Structure

Canonical SMILES:

CNCC1(CCN(CC1)C2=NC=NC3=C2NC=N3)C4=CC=CC(=C4)C5=CN(N=C5)C

Isomeric SMILES

CNCC1(CCN(CC1)C2=NC=NC3=C2NC=N3)C4=CC=CC(=C4)C5=CN(N=C5)C

InChI

InChI=1S/C22H26N8/c1-23-13-22(18-5-3-4-16(10-18)17-11-28-29(2)12-17)6-8-30(9-7-22)21-19-20(25-14-24-19)26-15-27-21/h3-5,10-12,14-15,23H,6-9,13H2,1-2H3,(H,24,25,26,27)