6-azanyl-2-(butylamino)-9-[(6-oxidanylidene-1H-pyridin-3-yl)methyl]-7H-purin-8-one

Systemtic Name: 6-azanyl-2-(butylamino)-9-[(6-oxidanylidene-1H-pyridin-3-yl)methyl]-7H-purin-8-one Openeye Name: 6-amino-2-(butylamino)-9-[(6-oxo-1H-pyridin-3-yl)methyl]-7H-purin-8-one CAS Name: 6-amino-2-(butylamino)-9-[(6-oxo-1H-pyridin-3-yl)methyl]-7H-purin-8-one IUPAC Name: 6-amino-2-(butylamino)-9-[(6-oxo-1H-pyridin-3-yl)methyl]-7H-purin-8-one Traditional Name: 6-amino-2-(butylamino)-9-[(6-keto-1H-pyridin-3-yl)methyl]-7H-purin-8-one Formula: C15H19N7O2 MolecularWeight: 329.35706

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19N7O2/c1-2-3-6-17-14-20-12(16)11-13(21-14)22(15(24)19-11)8-9-4-5-10(23)18-7-9/h4-5,7H,2-3,6,8H2,1H3,(H,18,23)(H,19,24)(H3,16,17,20,21)