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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-(7H-purin-6-yl)piperidine-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-(7H-purin-6-yl)piperidine-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-(7H-purin-6-yl)-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-(7H-purin-6-yl)piperidine-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-(7H-purin-6-yl)isonipecotamide Formula: C18H18N6O3 MolecularWeight: 366.37392

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC3=C(C=C2)OCO3)C4=NC=NC5=C4NC=N5

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC3=C(C=C2)OCO3)C4=NC=NC5=C4NC=N5

InChI

InChI=1S/C18H18N6O3/c25-18(23-12-1-2-13-14(7-12)27-10-26-13)11-3-5-24(6-4-11)17-15-16(20-8-19-15)21-9-22-17/h1-2,7-9,11H,3-6,10H2,(H,23,25)(H,19,20,21,22)