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

Systemtic Name: 1-(2-chloranyl-7H-purin-6-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide Openeye Name: 1-(2-chloro-7H-purin-6-yl)-N-(5-isobutyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide CAS Name: 1-(2-chloro-7H-purin-6-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-piperidinecarboxamide IUPAC Name: 1-(2-chloro-7H-purin-6-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide Traditional Name: 1-(2-chloro-7H-purin-6-yl)-N-(5-isobutyl-1,3,4-thiadiazol-2-yl)nipecotamide Formula: C17H21ClN8OS MolecularWeight: 420.91964

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21ClN8OS/c1-9(2)6-11-24-25-17(28-11)23-15(27)10-4-3-5-26(7-10)14-12-13(20-8-19-12)21-16(18)22-14/h8-10H,3-7H2,1-2H3,(H,23,25,27)(H,19,20,21,22)