1-[(1-azido-3-phenylmethoxy-propan-2-yl)oxymethyl]-5-methyl-6-phenylsulfanyl-pyrimidine-2,4-dione

Systemtic Name: 1-[(1-azido-3-phenylmethoxy-propan-2-yl)oxymethyl]-5-methyl-6-phenylsulfanyl-pyrimidine-2,4-dione Openeye Name: 1-[[1-(azidomethyl)-2-benzyloxy-ethoxy]methyl]-5-methyl-6-phenylsulfanyl-pyrimidine-2,4-dione CAS Name: 1-[(1-azido-3-phenylmethoxypropan-2-yl)oxymethyl]-5-methyl-6-(phenylthio)pyrimidine-2,4-dione IUPAC Name: 1-[(1-azido-3-phenylmethoxypropan-2-yl)oxymethyl]-5-methyl-6-phenylsulfanylpyrimidine-2,4-dione Traditional Name: 1-[[1-(azidomethyl)-2-benzoxy-ethoxy]methyl]-5-methyl-6-(phenylthio)pyrimidine-2,4-quinone Formula: C22H23N5O4S MolecularWeight: 453.51412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=O)NC1=O)COC(CN=[N+]=[N-])COCC2=CC=CC=C2)SC3=CC=CC=C3

Isomeric SMILES

CC1=C(N(C(=O)NC1=O)COC(CN=[N+]=[N-])COCC2=CC=CC=C2)SC3=CC=CC=C3

InChI

InChI=1S/C22H23N5O4S/c1-16-20(28)25-22(29)27(21(16)32-19-10-6-3-7-11-19)15-31-18(12-24-26-23)14-30-13-17-8-4-2-5-9-17/h2-11,18H,12-15H2,1H3,(H,25,28,29)