N2-(2-azanylethyl)-N6-[(4-chlorophenyl)methyl]-9-propan-2-yl-purine-2,6-diamine

Systemtic Name: N2-(2-azanylethyl)-N6-[(4-chlorophenyl)methyl]-9-propan-2-yl-purine-2,6-diamine Openeye Name: N2-(2-aminoethyl)-N6-[(4-chlorophenyl)methyl]-9-isopropyl-purine-2,6-diamine CAS Name: N2-(2-aminoethyl)-N6-[(4-chlorophenyl)methyl]-9-propan-2-ylpurine-2,6-diamine IUPAC Name: 2-N-(2-aminoethyl)-6-N-[(4-chlorophenyl)methyl]-9-propan-2-ylpurine-2,6-diamine Traditional Name: 2-aminoethyl-[6-[(4-chlorobenzyl)amino]-9-isopropyl-purin-2-yl]amine Formula: C17H22ClN7 MolecularWeight: 359.85648

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NC2=C1N=C(N=C2NCC3=CC=C(C=C3)Cl)NCCN

Isomeric SMILES

CC(C)N1C=NC2=C1N=C(N=C2NCC3=CC=C(C=C3)Cl)NCCN

InChI

InChI=1S/C17H22ClN7/c1-11(2)25-10-22-14-15(21-9-12-3-5-13(18)6-4-12)23-17(20-8-7-19)24-16(14)25/h3-6,10-11H,7-9,19H2,1-2H3,(H2,20,21,23,24)