[5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)-3-phosphonooxy-oxolan-2-yl]methyl 4-methoxybenzoate

Systemtic Name: [5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)-3-phosphonooxy-oxolan-2-yl]methyl 4-methoxybenzoate Openeye Name: [5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-3-phosphonooxy-tetrahydrofuran-2-yl]methyl 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid [5-(4-amino-2-oxo-1-pyrimidinyl)-3,4-dihydroxy-3-phosphonooxy-2-oxolanyl]methyl ester IUPAC Name: [5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxy-3-phosphonooxyoxolan-2-yl]methyl 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid [5-(4-amino-2-keto-pyrimidin-1-yl)-3,4-dihydroxy-3-phosphonooxy-tetrahydrofuran-2-yl]methyl ester Formula: C17H20N3O11P MolecularWeight: 473.327961

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)OCC2C(C(C(O2)N3C=CC(=NC3=O)N)O)(O)OP(=O)(O)O

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)OCC2C(C(C(O2)N3C=CC(=NC3=O)N)O)(O)OP(=O)(O)O

InChI

InChI=1S/C17H20N3O11P/c1-28-10-4-2-9(3-5-10)15(22)29-8-11-17(24,31-32(25,26)27)13(21)14(30-11)20-7-6-12(18)19-16(20)23/h2-7,11,13-14,21,24H,8H2,1H3,(H2,18,19,23)(H2,25,26,27)