6-azanyl-2-[bis(phenylmethoxy)phosphorylmethyl]-9-(phenylmethyl)-7H-purin-8-one

Systemtic Name: 6-azanyl-2-[bis(phenylmethoxy)phosphorylmethyl]-9-(phenylmethyl)-7H-purin-8-one Openeye Name: 6-amino-9-benzyl-2-(dibenzyloxyphosphorylmethyl)-7H-purin-8-one CAS Name: 6-amino-2-[bis(phenylmethoxy)phosphorylmethyl]-9-(phenylmethyl)-7H-purin-8-one IUPAC Name: 6-amino-9-benzyl-2-[bis(phenylmethoxy)phosphorylmethyl]-7H-purin-8-one Traditional Name: 6-amino-9-benzyl-2-(dibenzoxyphosphorylmethyl)-7H-purin-8-one Formula: C27H26N5O4P MolecularWeight: 515.500201

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=C(C(=NC(=N3)CP(=O)(OCC4=CC=CC=C4)OCC5=CC=CC=C5)N)NC2=O

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(C(=NC(=N3)CP(=O)(OCC4=CC=CC=C4)OCC5=CC=CC=C5)N)NC2=O

InChI

InChI=1S/C27H26N5O4P/c28-25-24-26(32(27(33)31-24)16-20-10-4-1-5-11-20)30-23(29-25)19-37(34,35-17-21-12-6-2-7-13-21)36-18-22-14-8-3-9-15-22/h1-15H,16-19H2,(H,31,33)(H2,28,29,30)