(3S)-N-[2-(4-hydroxyphenyl)ethyl]-1-(7H-purin-6-yl)piperidine-3-carboxamide

Systemtic Name: (3S)-N-[2-(4-hydroxyphenyl)ethyl]-1-(7H-purin-6-yl)piperidine-3-carboxamide Openeye Name: (3S)-N-[2-(4-hydroxyphenyl)ethyl]-1-(7H-purin-6-yl)piperidine-3-carboxamide CAS Name: (3S)-N-[2-(4-hydroxyphenyl)ethyl]-1-(7H-purin-6-yl)-3-piperidinecarboxamide IUPAC Name: (3S)-N-[2-(4-hydroxyphenyl)ethyl]-1-(7H-purin-6-yl)piperidine-3-carboxamide Traditional Name: (3S)-N-[2-(4-hydroxyphenyl)ethyl]-1-(7H-purin-6-yl)nipecotamide Formula: C19H22N6O2 MolecularWeight: 366.41698

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=NC=NC3=C2NC=N3)C(=O)NCCC4=CC=C(C=C4)O

Isomeric SMILES

C1C[C@@H](CN(C1)C2=NC=NC3=C2NC=N3)C(=O)NCCC4=CC=C(C=C4)O

InChI

InChI=1S/C19H22N6O2/c26-15-5-3-13(4-6-15)7-8-20-19(27)14-2-1-9-25(10-14)18-16-17(22-11-21-16)23-12-24-18/h3-6,11-12,14,26H,1-2,7-10H2,(H,20,27)(H,21,22,23,24)/t14-/m0/s1