4-[(2-chloranyl-7H-purin-6-yl)amino]-N-(3-imidazol-1-ylpropyl)butanamide

Systemtic Name: 4-[(2-chloranyl-7H-purin-6-yl)amino]-N-(3-imidazol-1-ylpropyl)butanamide Openeye Name: 4-[(2-chloro-7H-purin-6-yl)amino]-N-(3-imidazol-1-ylpropyl)butanamide CAS Name: 4-[(2-chloro-7H-purin-6-yl)amino]-N-[3-(1-imidazolyl)propyl]butanamide IUPAC Name: 4-[(2-chloro-7H-purin-6-yl)amino]-N-(3-imidazol-1-ylpropyl)butanamide Traditional Name: 4-[(2-chloro-7H-purin-6-yl)amino]-N-(3-imidazol-1-ylpropyl)butyramide Formula: C15H19ClN8O MolecularWeight: 362.81736

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C=N1)CCCNC(=O)CCCNC2=NC(=NC3=C2NC=N3)Cl

Isomeric SMILES

C1=CN(C=N1)CCCNC(=O)CCCNC2=NC(=NC3=C2NC=N3)Cl

InChI

InChI=1S/C15H19ClN8O/c16-15-22-13(12-14(23-15)21-9-20-12)19-4-1-3-11(25)18-5-2-7-24-8-6-17-10-24/h6,8-10H,1-5,7H2,(H,18,25)(H2,19,20,21,22,23)