N-(1,3-benzodioxol-5-ylmethyl)-1-(2-chloranyl-7H-purin-6-yl)piperidine-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(2-chloranyl-7H-purin-6-yl)piperidine-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(2-chloro-7H-purin-6-yl)piperidine-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(2-chloro-7H-purin-6-yl)-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(2-chloro-7H-purin-6-yl)piperidine-4-carboxamide Traditional Name: 1-(2-chloro-7H-purin-6-yl)-N-piperonyl-isonipecotamide Formula: C19H19ClN6O3 MolecularWeight: 414.84556

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCC2=CC3=C(C=C2)OCO3)C4=NC(=NC5=C4NC=N5)Cl

Isomeric SMILES

C1CN(CCC1C(=O)NCC2=CC3=C(C=C2)OCO3)C4=NC(=NC5=C4NC=N5)Cl

InChI

InChI=1S/C19H19ClN6O3/c20-19-24-16-15(22-9-23-16)17(25-19)26-5-3-12(4-6-26)18(27)21-8-11-1-2-13-14(7-11)29-10-28-13/h1-2,7,9,12H,3-6,8,10H2,(H,21,27)(H,22,23,24,25)