N-(3-methoxyphenyl)-1-(7H-purin-6-yl)piperidine-4-carboxamide

Systemtic Name: N-(3-methoxyphenyl)-1-(7H-purin-6-yl)piperidine-4-carboxamide Openeye Name: N-(3-methoxyphenyl)-1-(7H-purin-6-yl)piperidine-4-carboxamide CAS Name: N-(3-methoxyphenyl)-1-(7H-purin-6-yl)-4-piperidinecarboxamide IUPAC Name: N-(3-methoxyphenyl)-1-(7H-purin-6-yl)piperidine-4-carboxamide Traditional Name: N-(3-methoxyphenyl)-1-(7H-purin-6-yl)isonipecotamide Formula: C18H20N6O2 MolecularWeight: 352.3904

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=O)C2CCN(CC2)C3=NC=NC4=C3NC=N4

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)C2CCN(CC2)C3=NC=NC4=C3NC=N4

InChI

InChI=1S/C18H20N6O2/c1-26-14-4-2-3-13(9-14)23-18(25)12-5-7-24(8-6-12)17-15-16(20-10-19-15)21-11-22-17/h2-4,9-12H,5-8H2,1H3,(H,23,25)(H,19,20,21,22)