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

Systemtic Name: N'-(2-chloranyl-9-cyclopentyl-purin-6-yl)-N-[(4-fluorophenyl)methyl]ethane-1,2-diamine Openeye Name: N'-(2-chloro-9-cyclopentyl-purin-6-yl)-N-[(4-fluorophenyl)methyl]ethane-1,2-diamine CAS Name: N'-(2-chloro-9-cyclopentyl-6-purinyl)-N-[(4-fluorophenyl)methyl]ethane-1,2-diamine IUPAC Name: N'-(2-chloro-9-cyclopentylpurin-6-yl)-N-[(4-fluorophenyl)methyl]ethane-1,2-diamine Traditional Name: (2-chloro-9-cyclopentyl-purin-6-yl)-[2-[(4-fluorobenzyl)amino]ethyl]amine Formula: C19H22ClFN6 MolecularWeight: 388.869583

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22ClFN6/c20-19-25-17(23-10-9-22-11-13-5-7-14(21)8-6-13)16-18(26-19)27(12-24-16)15-3-1-2-4-15/h5-8,12,15,22H,1-4,9-11H2,(H,23,25,26)