9-butyl-8-[(2-chloranyl-5-methoxy-phenyl)methyl]purin-6-amine

Systemtic Name: 9-butyl-8-[(2-chloranyl-5-methoxy-phenyl)methyl]purin-6-amine Openeye Name: 9-butyl-8-[(2-chloro-5-methoxy-phenyl)methyl]purin-6-amine CAS Name: 9-butyl-8-[(2-chloro-5-methoxyphenyl)methyl]-6-purinamine IUPAC Name: 9-butyl-8-[(2-chloro-5-methoxyphenyl)methyl]purin-6-amine Traditional Name: [9-butyl-8-(2-chloro-5-methoxy-benzyl)purin-6-yl]amine Formula: C17H20ClN5O MolecularWeight: 345.8266

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NC2=C1N=CN=C2N)CC3=C(C=CC(=C3)OC)Cl

Isomeric SMILES

CCCCN1C(=NC2=C1N=CN=C2N)CC3=C(C=CC(=C3)OC)Cl

InChI

InChI=1S/C17H20ClN5O/c1-3-4-7-23-14(22-15-16(19)20-10-21-17(15)23)9-11-8-12(24-2)5-6-13(11)18/h5-6,8,10H,3-4,7,9H2,1-2H3,(H2,19,20,21)