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

Systemtic Name: tris[[5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl] phosphate Openeye Name: tris[[5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl] phosphate CAS Name: phosphoric acid tris[[5-(4-amino-2-oxo-1-pyrimidinyl)-3,4-dihydroxy-2-oxolanyl]methyl] ester IUPAC Name: tris[[5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl] phosphate Traditional Name: phosphoric acid tris[[5-(4-amino-2-keto-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl] ester Formula: C27H36N9O16P MolecularWeight: 773.599201

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(OCC3C(C(C(O3)N4C=CC(=NC4=O)N)O)O)OCC5C(C(C(O5)N6C=CC(=NC6=O)N)O)O)O)O

Isomeric SMILES

C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(OCC3C(C(C(O3)N4C=CC(=NC4=O)N)O)O)OCC5C(C(C(O5)N6C=CC(=NC6=O)N)O)O)O)O

InChI

InChI=1S/C27H36N9O16P/c28-13-1-4-34(25(43)31-13)22-19(40)16(37)10(50-22)7-47-53(46,48-8-11-17(38)20(41)23(51-11)35-5-2-14(29)32-26(35)44)49-9-12-18(39)21(42)24(52-12)36-6-3-15(30)33-27(36)45/h1-6,10-12,16-24,37-42H,7-9H2,(H2,28,31,43)(H2,29,32,44)(H2,30,33,45)