2-azanyl-9-[1,3-bis(phenylmethoxy)propan-2-yloxymethyl]-8-ethanoyl-3H-purin-6-one

Systemtic Name: 2-azanyl-9-[1,3-bis(phenylmethoxy)propan-2-yloxymethyl]-8-ethanoyl-3H-purin-6-one Openeye Name: 8-acetyl-2-amino-9-[[2-benzyloxy-1-(benzyloxymethyl)ethoxy]methyl]-3H-purin-6-one CAS Name: 8-acetyl-2-amino-9-[1,3-bis(phenylmethoxy)propan-2-yloxymethyl]-3H-purin-6-one IUPAC Name: 8-acetyl-2-amino-9-[1,3-bis(phenylmethoxy)propan-2-yloxymethyl]-3H-purin-6-one Traditional Name: 8-acetyl-2-amino-9-[[2-benzoxy-1-(benzoxymethyl)ethoxy]methyl]-3H-purin-6-one Formula: C25H27N5O5 MolecularWeight: 477.51238

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=NC2=C(N1COC(COCC3=CC=CC=C3)COCC4=CC=CC=C4)NC(=NC2=O)N

Isomeric SMILES

CC(=O)C1=NC2=C(N1COC(COCC3=CC=CC=C3)COCC4=CC=CC=C4)NC(=NC2=O)N

InChI

InChI=1S/C25H27N5O5/c1-17(31)22-27-21-23(28-25(26)29-24(21)32)30(22)16-35-20(14-33-12-18-8-4-2-5-9-18)15-34-13-19-10-6-3-7-11-19/h2-11,20H,12-16H2,1H3,(H3,26,28,29,32)