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

Systemtic Name: 1-(2-chloranyl-7H-purin-6-yl)-N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide Openeye Name: 1-(2-chloro-7H-purin-6-yl)-N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide CAS Name: 1-(2-chloro-7H-purin-6-yl)-N-(1,3,4-thiadiazol-2-yl)-3-piperidinecarboxamide IUPAC Name: 1-(2-chloro-7H-purin-6-yl)-N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide Traditional Name: 1-(2-chloro-7H-purin-6-yl)-N-(1,3,4-thiadiazol-2-yl)nipecotamide Formula: C13H13ClN8OS MolecularWeight: 364.81332

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=NC(=NC3=C2NC=N3)Cl)C(=O)NC4=NN=CS4

Isomeric SMILES

C1CC(CN(C1)C2=NC(=NC3=C2NC=N3)Cl)C(=O)NC4=NN=CS4

InChI

InChI=1S/C13H13ClN8OS/c14-12-18-9-8(15-5-16-9)10(19-12)22-3-1-2-7(4-22)11(23)20-13-21-17-6-24-13/h5-7H,1-4H2,(H,20,21,23)(H,15,16,18,19)