6-azanyl-9-[[2,6-bis(chloranyl)pyridin-3-yl]methyl]-2-(butylamino)-7H-purin-8-one

Systemtic Name: 6-azanyl-9-[[2,6-bis(chloranyl)pyridin-3-yl]methyl]-2-(butylamino)-7H-purin-8-one Openeye Name: 6-amino-2-(butylamino)-9-[(2,6-dichloro-3-pyridyl)methyl]-7H-purin-8-one CAS Name: 6-amino-2-(butylamino)-9-[(2,6-dichloro-3-pyridinyl)methyl]-7H-purin-8-one IUPAC Name: 6-amino-2-(butylamino)-9-[(2,6-dichloropyridin-3-yl)methyl]-7H-purin-8-one Traditional Name: 6-amino-2-(butylamino)-9-[(2,6-dichloro-3-pyridyl)methyl]-7H-purin-8-one Formula: C15H17Cl2N7O MolecularWeight: 382.24778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17Cl2N7O/c1-2-3-6-19-14-22-12(18)10-13(23-14)24(15(25)21-10)7-8-4-5-9(16)20-11(8)17/h4-5H,2-3,6-7H2,1H3,(H,21,25)(H3,18,19,22,23)