(3S)-1-(2-chloranyl-7H-purin-6-yl)-N-(3-methylbutyl)piperidine-3-carboxamide

Systemtic Name: (3S)-1-(2-chloranyl-7H-purin-6-yl)-N-(3-methylbutyl)piperidine-3-carboxamide Openeye Name: (3S)-1-(2-chloro-7H-purin-6-yl)-N-isopentyl-piperidine-3-carboxamide CAS Name: (3S)-1-(2-chloro-7H-purin-6-yl)-N-(3-methylbutyl)-3-piperidinecarboxamide IUPAC Name: (3S)-1-(2-chloro-7H-purin-6-yl)-N-(3-methylbutyl)piperidine-3-carboxamide Traditional Name: (3S)-1-(2-chloro-7H-purin-6-yl)-N-isoamyl-nipecotamide Formula: C16H23ClN6O MolecularWeight: 350.84642

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)C1CCCN(C1)C2=NC(=NC3=C2NC=N3)Cl

Isomeric SMILES

CC(C)CCNC(=O)[C@H]1CCCN(C1)C2=NC(=NC3=C2NC=N3)Cl

InChI

InChI=1S/C16H23ClN6O/c1-10(2)5-6-18-15(24)11-4-3-7-23(8-11)14-12-13(20-9-19-12)21-16(17)22-14/h9-11H,3-8H2,1-2H3,(H,18,24)(H,19,20,21,22)/t11-/m0/s1