N2-(3-azanylpropyl)-N6-(4-chlorophenyl)-8-propan-2-yl-7H-purine-2,6-diamine

Systemtic Name: N2-(3-azanylpropyl)-N6-(4-chlorophenyl)-8-propan-2-yl-7H-purine-2,6-diamine Openeye Name: N2-(3-aminopropyl)-N6-(4-chlorophenyl)-8-isopropyl-7H-purine-2,6-diamine CAS Name: N2-(3-aminopropyl)-N6-(4-chlorophenyl)-8-propan-2-yl-7H-purine-2,6-diamine IUPAC Name: 2-N-(3-aminopropyl)-6-N-(4-chlorophenyl)-8-propan-2-yl-7H-purine-2,6-diamine Traditional Name: 3-aminopropyl-[6-(4-chloroanilino)-8-isopropyl-7H-purin-2-yl]amine Formula: C17H22ClN7 MolecularWeight: 359.85648

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC2=C(N1)C(=NC(=N2)NCCCN)NC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)C1=NC2=C(N1)C(=NC(=N2)NCCCN)NC3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H22ClN7/c1-10(2)14-22-13-15(21-12-6-4-11(18)5-7-12)24-17(20-9-3-8-19)25-16(13)23-14/h4-7,10H,3,8-9,19H2,1-2H3,(H3,20,21,22,23,24,25)