tris[2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethyl] phosphate

Systemtic Name: tris[2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethyl] phosphate Openeye Name: tris[2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)ethyl] phosphate CAS Name: phosphoric acid tris[2-(1,3-dimethyl-2,6-dioxo-7-purinyl)ethyl] ester IUPAC Name: tris[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl] phosphate Traditional Name: phosphoric acid tris[2-(2,6-diketo-1,3-dimethyl-purin-7-yl)ethyl] ester Formula: C27H33N12O10P MolecularWeight: 716.599081

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCOP(=O)(OCCN3C=NC4=C3C(=O)N(C(=O)N4C)C)OCCN5C=NC6=C5C(=O)N(C(=O)N6C)C

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCOP(=O)(OCCN3C=NC4=C3C(=O)N(C(=O)N4C)C)OCCN5C=NC6=C5C(=O)N(C(=O)N6C)C

InChI

InChI=1S/C27H33N12O10P/c1-31-19-16(22(40)34(4)25(31)43)37(13-28-19)7-10-47-50(46,48-11-8-38-14-29-20-17(38)23(41)35(5)26(44)32(20)2)49-12-9-39-15-30-21-18(39)24(42)36(6)27(45)33(21)3/h13-15H,7-12H2,1-6H3