N2-[3-(aminomethyl)phenyl]-N6-(3-chlorophenyl)-8-ethyl-N2-methyl-7H-purine-2,6-diamine

Systemtic Name: N2-[3-(aminomethyl)phenyl]-N6-(3-chlorophenyl)-8-ethyl-N2-methyl-7H-purine-2,6-diamine Openeye Name: N2-[3-(aminomethyl)phenyl]-N6-(3-chlorophenyl)-8-ethyl-N2-methyl-7H-purine-2,6-diamine CAS Name: N2-[3-(aminomethyl)phenyl]-N6-(3-chlorophenyl)-8-ethyl-N2-methyl-7H-purine-2,6-diamine IUPAC Name: 2-N-[3-(aminomethyl)phenyl]-6-N-(3-chlorophenyl)-8-ethyl-2-N-methyl-7H-purine-2,6-diamine Traditional Name: [3-(aminomethyl)phenyl]-[6-(3-chloroanilino)-8-ethyl-7H-purin-2-yl]-methyl-amine Formula: C21H22ClN7 MolecularWeight: 407.89928

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(N1)C(=NC(=N2)N(C)C3=CC=CC(=C3)CN)NC4=CC(=CC=C4)Cl

Isomeric SMILES

CCC1=NC2=C(N1)C(=NC(=N2)N(C)C3=CC=CC(=C3)CN)NC4=CC(=CC=C4)Cl

InChI

InChI=1S/C21H22ClN7/c1-3-17-25-18-19(24-15-8-5-7-14(22)11-15)27-21(28-20(18)26-17)29(2)16-9-4-6-13(10-16)12-23/h4-11H,3,12,23H2,1-2H3,(H2,24,25,26,27,28)