6-chloranyl-9-(4-methoxybutyl)-N-phenyl-purin-2-amine

Systemtic Name: 6-chloranyl-9-(4-methoxybutyl)-N-phenyl-purin-2-amine Openeye Name: 6-chloro-9-(4-methoxybutyl)-N-phenyl-purin-2-amine CAS Name: 6-chloro-9-(4-methoxybutyl)-N-phenyl-2-purinamine IUPAC Name: 6-chloro-9-(4-methoxybutyl)-N-phenylpurin-2-amine Traditional Name: [6-chloro-9-(4-methoxybutyl)purin-2-yl]-phenyl-amine Formula: C16H18ClN5O MolecularWeight: 331.80002

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Descriptors Computed from Structure

Canonical SMILES:

COCCCCN1C=NC2=C1N=C(N=C2Cl)NC3=CC=CC=C3

Isomeric SMILES

COCCCCN1C=NC2=C1N=C(N=C2Cl)NC3=CC=CC=C3

InChI

InChI=1S/C16H18ClN5O/c1-23-10-6-5-9-22-11-18-13-14(17)20-16(21-15(13)22)19-12-7-3-2-4-8-12/h2-4,7-8,11H,5-6,9-10H2,1H3,(H,19,20,21)