N'-(2-chloranyl-9-cyclopentyl-purin-6-yl)-N-[(4-chlorophenyl)methyl]ethane-1,2-diamine

Systemtic Name: N'-(2-chloranyl-9-cyclopentyl-purin-6-yl)-N-[(4-chlorophenyl)methyl]ethane-1,2-diamine Openeye Name: N'-(2-chloro-9-cyclopentyl-purin-6-yl)-N-[(4-chlorophenyl)methyl]ethane-1,2-diamine CAS Name: N'-(2-chloro-9-cyclopentyl-6-purinyl)-N-[(4-chlorophenyl)methyl]ethane-1,2-diamine IUPAC Name: N'-(2-chloro-9-cyclopentylpurin-6-yl)-N-[(4-chlorophenyl)methyl]ethane-1,2-diamine Traditional Name: (4-chlorobenzyl)-[2-[(2-chloro-9-cyclopentyl-purin-6-yl)amino]ethyl]amine Formula: C19H22Cl2N6 MolecularWeight: 405.32418

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C=NC3=C2N=C(N=C3NCCNCC4=CC=C(C=C4)Cl)Cl

Isomeric SMILES

C1CCC(C1)N2C=NC3=C2N=C(N=C3NCCNCC4=CC=C(C=C4)Cl)Cl

InChI

InChI=1S/C19H22Cl2N6/c20-14-7-5-13(6-8-14)11-22-9-10-23-17-16-18(26-19(21)25-17)27(12-24-16)15-3-1-2-4-15/h5-8,12,15,22H,1-4,9-11H2,(H,23,25,26)