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

Systemtic Name: tris[5-(hydroxymethyl)-2-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-4-oxidanyl-oxolan-2-yl] phosphate Openeye Name: tris[4-hydroxy-5-(hydroxymethyl)-2-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl] phosphate CAS Name: phosphoric acid tris[4-hydroxy-5-(hydroxymethyl)-2-(5-methyl-2,4-dioxo-1-pyrimidinyl)-2-oxolanyl] ester IUPAC Name: tris[4-hydroxy-5-(hydroxymethyl)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl] phosphate Traditional Name: phosphoric acid tris[2-(2,4-diketo-5-methyl-pyrimidin-1-yl)-4-hydroxy-5-methylol-tetrahydrofuran-2-yl] ester Formula: C30H39N6O19P MolecularWeight: 818.633221

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=O)NC1=O)C2(CC(C(O2)CO)O)OP(=O)(OC3(CC(C(O3)CO)O)N4C=C(C(=O)NC4=O)C)OC5(CC(C(O5)CO)O)N6C=C(C(=O)NC6=O)C

Isomeric SMILES

CC1=CN(C(=O)NC1=O)C2(CC(C(O2)CO)O)OP(=O)(OC3(CC(C(O3)CO)O)N4C=C(C(=O)NC4=O)C)OC5(CC(C(O5)CO)O)N6C=C(C(=O)NC6=O)C

InChI

InChI=1S/C30H39N6O19P/c1-13-7-34(25(46)31-22(13)43)28(4-16(40)19(10-37)50-28)53-56(49,54-29(5-17(41)20(11-38)51-29)35-8-14(2)23(44)32-26(35)47)55-30(6-18(42)21(12-39)52-30)36-9-15(3)24(45)33-27(36)48/h7-9,16-21,37-42H,4-6,10-12H2,1-3H3,(H,31,43,46)(H,32,44,47)(H,33,45,48)