3-[(2-chloranyl-7H-purin-6-yl)amino]-N-(3-imidazol-1-ylpropyl)propanamide

Systemtic Name: 3-[(2-chloranyl-7H-purin-6-yl)amino]-N-(3-imidazol-1-ylpropyl)propanamide Openeye Name: 3-[(2-chloro-7H-purin-6-yl)amino]-N-(3-imidazol-1-ylpropyl)propanamide CAS Name: 3-[(2-chloro-7H-purin-6-yl)amino]-N-[3-(1-imidazolyl)propyl]propanamide IUPAC Name: 3-[(2-chloro-7H-purin-6-yl)amino]-N-(3-imidazol-1-ylpropyl)propanamide Traditional Name: 3-[(2-chloro-7H-purin-6-yl)amino]-N-(3-imidazol-1-ylpropyl)propionamide Formula: C14H17ClN8O MolecularWeight: 348.79078

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C=N1)CCCNC(=O)CCNC2=NC(=NC3=C2NC=N3)Cl

Isomeric SMILES

C1=CN(C=N1)CCCNC(=O)CCNC2=NC(=NC3=C2NC=N3)Cl

InChI

InChI=1S/C14H17ClN8O/c15-14-21-12(11-13(22-14)20-8-19-11)18-4-2-10(24)17-3-1-6-23-7-5-16-9-23/h5,7-9H,1-4,6H2,(H,17,24)(H2,18,19,20,21,22)