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

Systemtic Name: bis[2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethyl] hydrogen phosphate Openeye Name: bis[2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)ethyl] hydrogen phosphate CAS Name: bis[2-(1,3-dimethyl-2,6-dioxo-7-purinyl)ethyl] hydrogen phosphate IUPAC Name: bis[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl] hydrogen phosphate Traditional Name: bis[2-(2,6-diketo-1,3-dimethyl-purin-7-yl)ethyl] hydrogen phosphate Formula: C18H23N8O8P MolecularWeight: 510.397781

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCOP(=O)(O)OCCN3C=NC4=C3C(=O)N(C(=O)N4C)C

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCOP(=O)(O)OCCN3C=NC4=C3C(=O)N(C(=O)N4C)C

InChI

InChI=1S/C18H23N8O8P/c1-21-13-11(15(27)23(3)17(21)29)25(9-19-13)5-7-33-35(31,32)34-8-6-26-10-20-14-12(26)16(28)24(4)18(30)22(14)2/h9-10H,5-8H2,1-4H3,(H,31,32)