6-azanyl-2-(butylamino)-9-[(6-chloranylpyridin-3-yl)methyl]-7H-purin-8-one

Systemtic Name: 6-azanyl-2-(butylamino)-9-[(6-chloranylpyridin-3-yl)methyl]-7H-purin-8-one Openeye Name: 6-amino-2-(butylamino)-9-[(6-chloro-3-pyridyl)methyl]-7H-purin-8-one CAS Name: 6-amino-2-(butylamino)-9-[(6-chloro-3-pyridinyl)methyl]-7H-purin-8-one IUPAC Name: 6-amino-2-(butylamino)-9-[(6-chloropyridin-3-yl)methyl]-7H-purin-8-one Traditional Name: 6-amino-2-(butylamino)-9-[(6-chloro-3-pyridyl)methyl]-7H-purin-8-one Formula: C15H18ClN7O MolecularWeight: 347.80272

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CN=C(C=C3)Cl

Isomeric SMILES

CCCCNC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CN=C(C=C3)Cl

InChI

InChI=1S/C15H18ClN7O/c1-2-3-6-18-14-21-12(17)11-13(22-14)23(15(24)20-11)8-9-4-5-10(16)19-7-9/h4-5,7H,2-3,6,8H2,1H3,(H,20,24)(H3,17,18,21,22)