(3S)-N-(1,3-benzodioxol-5-yl)-1-(2-chloranyl-7H-purin-6-yl)piperidine-3-carboxamide

Systemtic Name: (3S)-N-(1,3-benzodioxol-5-yl)-1-(2-chloranyl-7H-purin-6-yl)piperidine-3-carboxamide Openeye Name: (3S)-N-(1,3-benzodioxol-5-yl)-1-(2-chloro-7H-purin-6-yl)piperidine-3-carboxamide CAS Name: (3S)-N-(1,3-benzodioxol-5-yl)-1-(2-chloro-7H-purin-6-yl)-3-piperidinecarboxamide IUPAC Name: (3S)-N-(1,3-benzodioxol-5-yl)-1-(2-chloro-7H-purin-6-yl)piperidine-3-carboxamide Traditional Name: (3S)-N-(1,3-benzodioxol-5-yl)-1-(2-chloro-7H-purin-6-yl)nipecotamide Formula: C18H17ClN6O3 MolecularWeight: 400.81898

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=NC(=NC3=C2NC=N3)Cl)C(=O)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1C[C@@H](CN(C1)C2=NC(=NC3=C2NC=N3)Cl)C(=O)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C18H17ClN6O3/c19-18-23-15-14(20-8-21-15)16(24-18)25-5-1-2-10(7-25)17(26)22-11-3-4-12-13(6-11)28-9-27-12/h3-4,6,8,10H,1-2,5,7,9H2,(H,22,26)(H,20,21,23,24)/t10-/m0/s1