N6-(3-chlorophenyl)-N2-(2-dimethylaminoethyl)-N2-(phenylmethyl)-9-propan-2-yl-purine-2,6-diamine

Systemtic Name: N6-(3-chlorophenyl)-N2-(2-dimethylaminoethyl)-N2-(phenylmethyl)-9-propan-2-yl-purine-2,6-diamine Openeye Name: N2-benzyl-N6-(3-chlorophenyl)-N2-(2-dimethylaminoethyl)-9-isopropyl-purine-2,6-diamine CAS Name: N6-(3-chlorophenyl)-N2-(2-dimethylaminoethyl)-N2-(phenylmethyl)-9-propan-2-ylpurine-2,6-diamine IUPAC Name: 2-N-benzyl-6-N-(3-chlorophenyl)-2-N-(2-dimethylaminoethyl)-9-propan-2-ylpurine-2,6-diamine Traditional Name: benzyl-[6-(3-chloroanilino)-9-isopropyl-purin-2-yl]-(2-dimethylaminoethyl)amine Formula: C25H30ClN7 MolecularWeight: 464.0056

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NC2=C1N=C(N=C2NC3=CC(=CC=C3)Cl)N(CCN(C)C)CC4=CC=CC=C4

Isomeric SMILES

CC(C)N1C=NC2=C1N=C(N=C2NC3=CC(=CC=C3)Cl)N(CCN(C)C)CC4=CC=CC=C4

InChI

InChI=1S/C25H30ClN7/c1-18(2)33-17-27-22-23(28-21-12-8-11-20(26)15-21)29-25(30-24(22)33)32(14-13-31(3)4)16-19-9-6-5-7-10-19/h5-12,15,17-18H,13-14,16H2,1-4H3,(H,28,29,30)