N2-(2,3-dihydro-1H-inden-5-yl)-N6-[(4-methoxyphenyl)methyl]-9-propan-2-yl-purine-2,6-diamine

Systemtic Name: N2-(2,3-dihydro-1H-inden-5-yl)-N6-[(4-methoxyphenyl)methyl]-9-propan-2-yl-purine-2,6-diamine Openeye Name: N2-indan-5-yl-9-isopropyl-N6-[(4-methoxyphenyl)methyl]purine-2,6-diamine CAS Name: N2-(2,3-dihydro-1H-inden-5-yl)-N6-[(4-methoxyphenyl)methyl]-9-propan-2-ylpurine-2,6-diamine IUPAC Name: 2-N-(2,3-dihydro-1H-inden-5-yl)-6-N-[(4-methoxyphenyl)methyl]-9-propan-2-ylpurine-2,6-diamine Traditional Name: indan-5-yl-[9-isopropyl-6-(p-anisylamino)purin-2-yl]amine Formula: C25H28N6O MolecularWeight: 428.52942

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NC2=C1N=C(N=C2NCC3=CC=C(C=C3)OC)NC4=CC5=C(CCC5)C=C4

Isomeric SMILES

CC(C)N1C=NC2=C1N=C(N=C2NCC3=CC=C(C=C3)OC)NC4=CC5=C(CCC5)C=C4

InChI

InChI=1S/C25H28N6O/c1-16(2)31-15-27-22-23(26-14-17-7-11-21(32-3)12-8-17)29-25(30-24(22)31)28-20-10-9-18-5-4-6-19(18)13-20/h7-13,15-16H,4-6,14H2,1-3H3,(H2,26,28,29,30)