(3S)-1-(2-chloranyl-7H-purin-6-yl)-N-[3-(dimethylamino)propyl]piperidine-3-carboxamide

Systemtic Name: (3S)-1-(2-chloranyl-7H-purin-6-yl)-N-[3-(dimethylamino)propyl]piperidine-3-carboxamide Openeye Name: (3S)-1-(2-chloro-7H-purin-6-yl)-N-[3-(dimethylamino)propyl]piperidine-3-carboxamide CAS Name: (3S)-1-(2-chloro-7H-purin-6-yl)-N-[3-(dimethylamino)propyl]-3-piperidinecarboxamide IUPAC Name: (3S)-1-(2-chloro-7H-purin-6-yl)-N-[3-(dimethylamino)propyl]piperidine-3-carboxamide Traditional Name: (3S)-1-(2-chloro-7H-purin-6-yl)-N-[3-(dimethylamino)propyl]nipecotamide Formula: C16H24ClN7O MolecularWeight: 365.86106

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCNC(=O)C1CCCN(C1)C2=NC(=NC3=C2NC=N3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C16H24ClN7O/c1-23(2)7-4-6-18-15(25)11-5-3-8-24(9-11)14-12-13(20-10-19-12)21-16(17)22-14/h10-11H,3-9H2,1-2H3,(H,18,25)(H,19,20,21,22)/t11-/m0/s1