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

Systemtic Name: 6-azanyl-2-(butylamino)-9-[(6-chloranyl-2-methyl-pyridin-3-yl)methyl]-7H-purin-8-one Openeye Name: 6-amino-2-(butylamino)-9-[(6-chloro-2-methyl-3-pyridyl)methyl]-7H-purin-8-one CAS Name: 6-amino-2-(butylamino)-9-[(6-chloro-2-methyl-3-pyridinyl)methyl]-7H-purin-8-one IUPAC Name: 6-amino-2-(butylamino)-9-[(6-chloro-2-methylpyridin-3-yl)methyl]-7H-purin-8-one Traditional Name: 6-amino-2-(butylamino)-9-[(6-chloro-2-methyl-3-pyridyl)methyl]-7H-purin-8-one Formula: C16H20ClN7O MolecularWeight: 361.8293

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C16H20ClN7O/c1-3-4-7-19-15-22-13(18)12-14(23-15)24(16(25)21-12)8-10-5-6-11(17)20-9(10)2/h5-6H,3-4,7-8H2,1-2H3,(H,21,25)(H3,18,19,22,23)