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

Systemtic Name: N6-(4-chlorophenyl)-N2-(phenylmethyl)-8-propan-2-yl-7H-purine-2,6-diamine Openeye Name: N2-benzyl-N6-(4-chlorophenyl)-8-isopropyl-7H-purine-2,6-diamine CAS Name: N6-(4-chlorophenyl)-N2-(phenylmethyl)-8-propan-2-yl-7H-purine-2,6-diamine IUPAC Name: 2-N-benzyl-6-N-(4-chlorophenyl)-8-propan-2-yl-7H-purine-2,6-diamine Traditional Name: benzyl-[6-(4-chloroanilino)-8-isopropyl-7H-purin-2-yl]amine Formula: C21H21ClN6 MolecularWeight: 392.88464

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC2=C(N1)C(=NC(=N2)NCC3=CC=CC=C3)NC4=CC=C(C=C4)Cl

Isomeric SMILES

CC(C)C1=NC2=C(N1)C(=NC(=N2)NCC3=CC=CC=C3)NC4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H21ClN6/c1-13(2)18-25-17-19(24-16-10-8-15(22)9-11-16)27-21(28-20(17)26-18)23-12-14-6-4-3-5-7-14/h3-11,13H,12H2,1-2H3,(H3,23,24,25,26,27,28)