6-azanyl-9-[[3-[bis(phenylmethoxy)phosphorylmethyl]phenyl]methyl]-2-butoxy-7H-purin-8-one

Systemtic Name: 6-azanyl-9-[[3-[bis(phenylmethoxy)phosphorylmethyl]phenyl]methyl]-2-butoxy-7H-purin-8-one Openeye Name: 6-amino-2-butoxy-9-[[3-(dibenzyloxyphosphorylmethyl)phenyl]methyl]-7H-purin-8-one CAS Name: 6-amino-9-[[3-[bis(phenylmethoxy)phosphorylmethyl]phenyl]methyl]-2-butoxy-7H-purin-8-one IUPAC Name: 6-amino-9-[[3-[bis(phenylmethoxy)phosphorylmethyl]phenyl]methyl]-2-butoxy-7H-purin-8-one Traditional Name: 6-amino-2-butoxy-9-[3-(dibenzoxyphosphorylmethyl)benzyl]-7H-purin-8-one Formula: C31H34N5O5P MolecularWeight: 587.605921

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC(=CC=C3)CP(=O)(OCC4=CC=CC=C4)OCC5=CC=CC=C5

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC(=CC=C3)CP(=O)(OCC4=CC=CC=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C31H34N5O5P/c1-2-3-17-39-30-34-28(32)27-29(35-30)36(31(37)33-27)19-25-15-10-16-26(18-25)22-42(38,40-20-23-11-6-4-7-12-23)41-21-24-13-8-5-9-14-24/h4-16,18H,2-3,17,19-22H2,1H3,(H,33,37)(H2,32,34,35)