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

Systemtic Name: N2-(2-dimethylaminoethyl)-N6-[(4-methoxyphenyl)methyl]-N2-(phenylmethyl)-9-propan-2-yl-purine-2,6-diamine Openeye Name: N2-benzyl-N2-(2-dimethylaminoethyl)-9-isopropyl-N6-[(4-methoxyphenyl)methyl]purine-2,6-diamine CAS Name: N2-(2-dimethylaminoethyl)-N6-[(4-methoxyphenyl)methyl]-N2-(phenylmethyl)-9-propan-2-ylpurine-2,6-diamine IUPAC Name: 2-N-benzyl-2-N-(2-dimethylaminoethyl)-6-N-[(4-methoxyphenyl)methyl]-9-propan-2-ylpurine-2,6-diamine Traditional Name: benzyl-(2-dimethylaminoethyl)-[9-isopropyl-6-(p-anisylamino)purin-2-yl]amine Formula: C27H35N7O MolecularWeight: 473.6131

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NC2=C1N=C(N=C2NCC3=CC=C(C=C3)OC)N(CCN(C)C)CC4=CC=CC=C4

Isomeric SMILES

CC(C)N1C=NC2=C1N=C(N=C2NCC3=CC=C(C=C3)OC)N(CCN(C)C)CC4=CC=CC=C4

InChI

InChI=1S/C27H35N7O/c1-20(2)34-19-29-24-25(28-17-21-11-13-23(35-5)14-12-21)30-27(31-26(24)34)33(16-15-32(3)4)18-22-9-7-6-8-10-22/h6-14,19-20H,15-18H2,1-5H3,(H,28,30,31)