2-[[5-(6-azanyl-5-bromanyl-2-oxidanylidene-1,6-dihydropyrimidin-3-yl)-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]ethanoic acid

Systemtic Name: 2-[[5-(6-azanyl-5-bromanyl-2-oxidanylidene-1,6-dihydropyrimidin-3-yl)-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]ethanoic acid Openeye Name: 2-[[5-(6-amino-5-bromo-2-oxo-1,6-dihydropyrimidin-3-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]acetic acid CAS Name: 2-[[5-(6-amino-5-bromo-2-oxo-1,6-dihydropyrimidin-3-yl)-3-hydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl]acetic acid IUPAC Name: 2-[[5-(6-amino-5-bromo-2-oxo-1,6-dihydropyrimidin-3-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]acetic acid Traditional Name: 2-[[5-(6-amino-5-bromo-2-keto-1,6-dihydropyrimidin-3-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]acetic acid Formula: C11H17BrN3O8P MolecularWeight: 430.145741

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC1N2C=C(C(NC2=O)N)Br)COP(=O)(CC(=O)O)O)O

Isomeric SMILES

C1C(C(OC1N2C=C(C(NC2=O)N)Br)COP(=O)(CC(=O)O)O)O

InChI

InChI=1S/C11H17BrN3O8P/c12-5-2-15(11(19)14-10(5)13)8-1-6(16)7(23-8)3-22-24(20,21)4-9(17)18/h2,6-8,10,16H,1,3-4,13H2,(H,14,19)(H,17,18)(H,20,21)