7-[1,3-bis(phenylmethoxy)propan-2-yloxymethyl]-2-methylsulfanyl-1H-pyrrolo[2,3-d]pyrimidin-4-one

Systemtic Name: 7-[1,3-bis(phenylmethoxy)propan-2-yloxymethyl]-2-methylsulfanyl-1H-pyrrolo[2,3-d]pyrimidin-4-one Openeye Name: 7-[[2-benzyloxy-1-(benzyloxymethyl)ethoxy]methyl]-2-methylsulfanyl-1H-pyrrolo[2,3-d]pyrimidin-4-one CAS Name: 7-[1,3-bis(phenylmethoxy)propan-2-yloxymethyl]-2-(methylthio)-1H-pyrrolo[2,3-d]pyrimidin-4-one IUPAC Name: 7-[1,3-bis(phenylmethoxy)propan-2-yloxymethyl]-2-methylsulfanyl-1H-pyrrolo[2,3-d]pyrimidin-4-one Traditional Name: 7-[[2-benzoxy-1-(benzoxymethyl)ethoxy]methyl]-2-(methylthio)-1H-pyrrolo[2,3-d]pyrimidin-4-one Formula: C25H27N3O4S MolecularWeight: 465.56458

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=O)C2=C(N1)N(C=C2)COC(COCC3=CC=CC=C3)COCC4=CC=CC=C4

Isomeric SMILES

CSC1=NC(=O)C2=C(N1)N(C=C2)COC(COCC3=CC=CC=C3)COCC4=CC=CC=C4

InChI

InChI=1S/C25H27N3O4S/c1-33-25-26-23-22(24(29)27-25)12-13-28(23)18-32-21(16-30-14-19-8-4-2-5-9-19)17-31-15-20-10-6-3-7-11-20/h2-13,21H,14-18H2,1H3,(H,26,27,29)