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

Systemtic Name: 6-azanyl-2-(butylamino)-9-[(3-chlorophenyl)methyl]-7H-purin-8-one Openeye Name: 6-amino-2-(butylamino)-9-[(3-chlorophenyl)methyl]-7H-purin-8-one CAS Name: 6-amino-2-(butylamino)-9-[(3-chlorophenyl)methyl]-7H-purin-8-one IUPAC Name: 6-amino-2-(butylamino)-9-[(3-chlorophenyl)methyl]-7H-purin-8-one Traditional Name: 6-amino-2-(butylamino)-9-(3-chlorobenzyl)-7H-purin-8-one Formula: C16H19ClN6O MolecularWeight: 346.81466

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19ClN6O/c1-2-3-7-19-15-21-13(18)12-14(22-15)23(16(24)20-12)9-10-5-4-6-11(17)8-10/h4-6,8H,2-3,7,9H2,1H3,(H,20,24)(H3,18,19,21,22)