2-azanyl-9-[2-(hydroxymethyl)-4-(triphenylmethyl)oxy-butyl]-7,8-dihydro-3H-purin-6-one

Systemtic Name: 2-azanyl-9-[2-(hydroxymethyl)-4-(triphenylmethyl)oxy-butyl]-7,8-dihydro-3H-purin-6-one Openeye Name: 2-amino-9-[2-(hydroxymethyl)-4-trityloxy-butyl]-7,8-dihydro-3H-purin-6-one CAS Name: 2-amino-9-[2-(hydroxymethyl)-4-(triphenylmethyl)oxybutyl]-7,8-dihydro-3H-purin-6-one IUPAC Name: 2-amino-9-[2-(hydroxymethyl)-4-trityloxybutyl]-7,8-dihydro-3H-purin-6-one Traditional Name: 2-amino-9-(2-methylol-4-trityloxy-butyl)-7,8-dihydro-3H-purin-6-one Formula: C29H31N5O3 MolecularWeight: 497.58814

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Descriptors Computed from Structure

Canonical SMILES:

C1NC2=C(N1CC(CCOC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)CO)NC(=NC2=O)N

Isomeric SMILES

C1NC2=C(N1CC(CCOC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)CO)NC(=NC2=O)N

InChI

InChI=1S/C29H31N5O3/c30-28-32-26-25(27(36)33-28)31-20-34(26)18-21(19-35)16-17-37-29(22-10-4-1-5-11-22,23-12-6-2-7-13-23)24-14-8-3-9-15-24/h1-15,21,31,35H,16-20H2,(H3,30,32,33,36)