benzotriazol-1-yl [5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methyl hydrogen phosphate

Systemtic Name: benzotriazol-1-yl [5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methyl hydrogen phosphate Openeye Name: benzotriazol-1-yl [3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl hydrogen phosphate CAS Name: 1-benzotriazolyl [3-hydroxy-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-2-oxolanyl]methyl hydrogen phosphate IUPAC Name: benzotriazol-1-yl [3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl hydrogen phosphate Traditional Name: benzotriazol-1-yl [5-(2,4-diketo-5-methyl-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate Formula: C16H18N5O8P MolecularWeight: 439.316581

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)ON3C4=CC=CC=C4N=N3)O

Isomeric SMILES

CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)ON3C4=CC=CC=C4N=N3)O

InChI

InChI=1S/C16H18N5O8P/c1-9-7-20(16(24)17-15(9)23)14-6-12(22)13(28-14)8-27-30(25,26)29-21-11-5-3-2-4-10(11)18-19-21/h2-5,7,12-14,22H,6,8H2,1H3,(H,25,26)(H,17,23,24)