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

Systemtic Name: N6-[(4-methoxyphenyl)methyl]-9-propan-2-yl-N2-(2,4,6-trimethylphenyl)purine-2,6-diamine Openeye Name: 9-isopropyl-N6-[(4-methoxyphenyl)methyl]-N2-(2,4,6-trimethylphenyl)purine-2,6-diamine CAS Name: N6-[(4-methoxyphenyl)methyl]-9-propan-2-yl-N2-(2,4,6-trimethylphenyl)purine-2,6-diamine IUPAC Name: 6-N-[(4-methoxyphenyl)methyl]-9-propan-2-yl-2-N-(2,4,6-trimethylphenyl)purine-2,6-diamine Traditional Name: (9-isopropyl-2-mesidino-purin-6-yl)-p-anisyl-amine Formula: C25H30N6O MolecularWeight: 430.5453

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC2=NC3=C(C(=N2)NCC4=CC=C(C=C4)OC)N=CN3C(C)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC2=NC3=C(C(=N2)NCC4=CC=C(C=C4)OC)N=CN3C(C)C)C

InChI

InChI=1S/C25H30N6O/c1-15(2)31-14-27-22-23(26-13-19-7-9-20(32-6)10-8-19)29-25(30-24(22)31)28-21-17(4)11-16(3)12-18(21)5/h7-12,14-15H,13H2,1-6H3,(H2,26,28,29,30)