N2-(2-dimethylaminoethyl)-N6-[(4-methylphenyl)methyl]-N2-(phenylmethyl)-9-propan-2-yl-purine-2,6-diamine

Systemtic Name: N2-(2-dimethylaminoethyl)-N6-[(4-methylphenyl)methyl]-N2-(phenylmethyl)-9-propan-2-yl-purine-2,6-diamine Openeye Name: N2-benzyl-N2-(2-dimethylaminoethyl)-9-isopropyl-N6-(p-tolylmethyl)purine-2,6-diamine CAS Name: N2-(2-dimethylaminoethyl)-N6-[(4-methylphenyl)methyl]-N2-(phenylmethyl)-9-propan-2-ylpurine-2,6-diamine IUPAC Name: 2-N-benzyl-2-N-(2-dimethylaminoethyl)-6-N-[(4-methylphenyl)methyl]-9-propan-2-ylpurine-2,6-diamine Traditional Name: benzyl-(2-dimethylaminoethyl)-[9-isopropyl-6-[(4-methylbenzyl)amino]purin-2-yl]amine Formula: C27H35N7 MolecularWeight: 457.6137

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC2=NC(=NC3=C2N=CN3C(C)C)N(CCN(C)C)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)CNC2=NC(=NC3=C2N=CN3C(C)C)N(CCN(C)C)CC4=CC=CC=C4

InChI

InChI=1S/C27H35N7/c1-20(2)34-19-29-24-25(28-17-22-13-11-21(3)12-14-22)30-27(31-26(24)34)33(16-15-32(4)5)18-23-9-7-6-8-10-23/h6-14,19-20H,15-18H2,1-5H3,(H,28,30,31)