N-(4-propan-2-ylphenyl)-1-(7H-purin-6-yl)piperidine-4-carboxamide

Systemtic Name: N-(4-propan-2-ylphenyl)-1-(7H-purin-6-yl)piperidine-4-carboxamide Openeye Name: N-(4-isopropylphenyl)-1-(7H-purin-6-yl)piperidine-4-carboxamide CAS Name: N-(4-propan-2-ylphenyl)-1-(7H-purin-6-yl)-4-piperidinecarboxamide IUPAC Name: N-(4-propan-2-ylphenyl)-1-(7H-purin-6-yl)piperidine-4-carboxamide Traditional Name: N-p-cumenyl-1-(7H-purin-6-yl)isonipecotamide Formula: C20H24N6O MolecularWeight: 364.44416

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC(=O)C2CCN(CC2)C3=NC=NC4=C3NC=N4

Isomeric SMILES

CC(C)C1=CC=C(C=C1)NC(=O)C2CCN(CC2)C3=NC=NC4=C3NC=N4

InChI

InChI=1S/C20H24N6O/c1-13(2)14-3-5-16(6-4-14)25-20(27)15-7-9-26(10-8-15)19-17-18(22-11-21-17)23-12-24-19/h3-6,11-13,15H,7-10H2,1-2H3,(H,25,27)(H,21,22,23,24)