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

Systemtic Name: 2-(3-azanylpiperidin-1-yl)-N-(3-chlorophenyl)-9-ethyl-purin-6-amine Openeye Name: 2-(3-amino-1-piperidyl)-N-(3-chlorophenyl)-9-ethyl-purin-6-amine CAS Name: 2-(3-amino-1-piperidinyl)-N-(3-chlorophenyl)-9-ethyl-6-purinamine IUPAC Name: 2-(3-aminopiperidin-1-yl)-N-(3-chlorophenyl)-9-ethylpurin-6-amine Traditional Name: [2-(3-aminopiperidino)-9-ethyl-purin-6-yl]-(3-chlorophenyl)amine Formula: C18H22ClN7 MolecularWeight: 371.86718

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1N=C(N=C2NC3=CC(=CC=C3)Cl)N4CCCC(C4)N

Isomeric SMILES

CCN1C=NC2=C1N=C(N=C2NC3=CC(=CC=C3)Cl)N4CCCC(C4)N

InChI

InChI=1S/C18H22ClN7/c1-2-25-11-21-15-16(22-14-7-3-5-12(19)9-14)23-18(24-17(15)25)26-8-4-6-13(20)10-26/h3,5,7,9,11,13H,2,4,6,8,10,20H2,1H3,(H,22,23,24)