N-(4-butylphenyl)-1-(7H-purin-6-yl)piperidine-4-carboxamide

Systemtic Name: N-(4-butylphenyl)-1-(7H-purin-6-yl)piperidine-4-carboxamide Openeye Name: N-(4-butylphenyl)-1-(7H-purin-6-yl)piperidine-4-carboxamide CAS Name: N-(4-butylphenyl)-1-(7H-purin-6-yl)-4-piperidinecarboxamide IUPAC Name: N-(4-butylphenyl)-1-(7H-purin-6-yl)piperidine-4-carboxamide Traditional Name: N-(4-butylphenyl)-1-(7H-purin-6-yl)isonipecotamide Formula: C21H26N6O MolecularWeight: 378.47074

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)C2CCN(CC2)C3=NC=NC4=C3NC=N4

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)C2CCN(CC2)C3=NC=NC4=C3NC=N4

InChI

InChI=1S/C21H26N6O/c1-2-3-4-15-5-7-17(8-6-15)26-21(28)16-9-11-27(12-10-16)20-18-19(23-13-22-18)24-14-25-20/h5-8,13-14,16H,2-4,9-12H2,1H3,(H,26,28)(H,22,23,24,25)