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

Systemtic Name: 2-(3-azanylpyrrolidin-1-yl)-N-(3-chlorophenyl)-9-ethyl-purin-6-amine Openeye Name: 2-(3-aminopyrrolidin-1-yl)-N-(3-chlorophenyl)-9-ethyl-purin-6-amine CAS Name: 2-(3-amino-1-pyrrolidinyl)-N-(3-chlorophenyl)-9-ethyl-6-purinamine IUPAC Name: 2-(3-aminopyrrolidin-1-yl)-N-(3-chlorophenyl)-9-ethylpurin-6-amine Traditional Name: [2-(3-aminopyrrolidino)-9-ethyl-purin-6-yl]-(3-chlorophenyl)amine Formula: C17H20ClN7 MolecularWeight: 357.8406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1N=C(N=C2NC3=CC(=CC=C3)Cl)N4CCC(C4)N

Isomeric SMILES

CCN1C=NC2=C1N=C(N=C2NC3=CC(=CC=C3)Cl)N4CCC(C4)N

InChI

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