2-azanyl-9-[4-[bis(4-methylphenyl)-pyren-1-yl-methoxy]-2-(hydroxymethyl)butyl]-7,8-dihydro-3H-purin-6-one

Systemtic Name: 2-azanyl-9-[4-[bis(4-methylphenyl)-pyren-1-yl-methoxy]-2-(hydroxymethyl)butyl]-7,8-dihydro-3H-purin-6-one Openeye Name: 2-amino-9-[4-[bis-p-tolyl(pyren-1-yl)methoxy]-2-(hydroxymethyl)butyl]-7,8-dihydro-3H-purin-6-one CAS Name: 2-amino-9-[4-[bis(4-methylphenyl)-(1-pyrenyl)methoxy]-2-(hydroxymethyl)butyl]-7,8-dihydro-3H-purin-6-one IUPAC Name: 2-amino-9-[4-[bis(4-methylphenyl)-pyren-1-ylmethoxy]-2-(hydroxymethyl)butyl]-7,8-dihydro-3H-purin-6-one Traditional Name: 2-amino-9-[4-[bis-p-tolyl(pyren-1-yl)methoxy]-2-methylol-butyl]-7,8-dihydro-3H-purin-6-one Formula: C41H39N5O3 MolecularWeight: 649.78006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2=CC=C(C=C2)C)(C3=C4C=CC5=CC=CC6=C5C4=C(C=C6)C=C3)OCCC(CN7CNC8=C7NC(=NC8=O)N)CO

Isomeric SMILES

CC1=CC=C(C=C1)C(C2=CC=C(C=C2)C)(C3=C4C=CC5=CC=CC6=C5C4=C(C=C6)C=C3)OCCC(CN7CNC8=C7NC(=NC8=O)N)CO

InChI

InChI=1S/C41H39N5O3/c1-25-6-14-31(15-7-25)41(32-16-8-26(2)9-17-32,34-19-13-30-11-10-28-4-3-5-29-12-18-33(34)36(30)35(28)29)49-21-20-27(23-47)22-46-24-43-37-38(46)44-40(42)45-39(37)48/h3-19,27,43,47H,20-24H2,1-2H3,(H3,42,44,45,48)