N-(3-chlorophenyl)-9-ethyl-2-piperazin-1-yl-purin-6-amine

Systemtic Name: N-(3-chlorophenyl)-9-ethyl-2-piperazin-1-yl-purin-6-amine Openeye Name: N-(3-chlorophenyl)-9-ethyl-2-piperazin-1-yl-purin-6-amine CAS Name: N-(3-chlorophenyl)-9-ethyl-2-(1-piperazinyl)-6-purinamine IUPAC Name: N-(3-chlorophenyl)-9-ethyl-2-piperazin-1-ylpurin-6-amine Traditional Name: (3-chlorophenyl)-(9-ethyl-2-piperazino-purin-6-yl)amine Formula: C17H20ClN7 MolecularWeight: 357.8406

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1N=C(N=C2NC3=CC(=CC=C3)Cl)N4CCNCC4

Isomeric SMILES

CCN1C=NC2=C1N=C(N=C2NC3=CC(=CC=C3)Cl)N4CCNCC4

InChI

InChI=1S/C17H20ClN7/c1-2-24-11-20-14-15(21-13-5-3-4-12(18)10-13)22-17(23-16(14)24)25-8-6-19-7-9-25/h3-5,10-11,19H,2,6-9H2,1H3,(H,21,22,23)