3-[(2-chloranyl-7H-purin-6-yl)amino]-N-pyridin-3-yl-propanamide

Systemtic Name: 3-[(2-chloranyl-7H-purin-6-yl)amino]-N-pyridin-3-yl-propanamide Openeye Name: 3-[(2-chloro-7H-purin-6-yl)amino]-N-(3-pyridyl)propanamide CAS Name: 3-[(2-chloro-7H-purin-6-yl)amino]-N-(3-pyridinyl)propanamide IUPAC Name: 3-[(2-chloro-7H-purin-6-yl)amino]-N-pyridin-3-ylpropanamide Traditional Name: 3-[(2-chloro-7H-purin-6-yl)amino]-N-(3-pyridyl)propionamide Formula: C13H12ClN7O MolecularWeight: 317.73368

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)NC(=O)CCNC2=NC(=NC3=C2NC=N3)Cl

Isomeric SMILES

C1=CC(=CN=C1)NC(=O)CCNC2=NC(=NC3=C2NC=N3)Cl

InChI

InChI=1S/C13H12ClN7O/c14-13-20-11(10-12(21-13)18-7-17-10)16-5-3-9(22)19-8-2-1-4-15-6-8/h1-2,4,6-7H,3,5H2,(H,19,22)(H2,16,17,18,20,21)