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

Systemtic Name: 1-(2-chloranyl-7H-purin-6-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide Openeye Name: 1-(2-chloro-7H-purin-6-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide CAS Name: 1-(2-chloro-7H-purin-6-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-piperidinecarboxamide IUPAC Name: 1-(2-chloro-7H-purin-6-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide Traditional Name: 1-(2-chloro-7H-purin-6-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)nipecotamide Formula: C14H15ClN8OS MolecularWeight: 378.8399

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(S1)NC(=O)C2CCCN(C2)C3=NC(=NC4=C3NC=N4)Cl

Isomeric SMILES

CC1=NN=C(S1)NC(=O)C2CCCN(C2)C3=NC(=NC4=C3NC=N4)Cl

InChI

InChI=1S/C14H15ClN8OS/c1-7-21-22-14(25-7)20-12(24)8-3-2-4-23(5-8)11-9-10(17-6-16-9)18-13(15)19-11/h6,8H,2-5H2,1H3,(H,20,22,24)(H,16,17,18,19)