1,7-bis(4-diethoxyphosphorylbutyl)-3-methyl-purine-2,6-dione

Systemtic Name: 1,7-bis(4-diethoxyphosphorylbutyl)-3-methyl-purine-2,6-dione Openeye Name: 1,7-bis(4-diethoxyphosphorylbutyl)-3-methyl-purine-2,6-dione CAS Name: 1,7-bis(4-diethoxyphosphorylbutyl)-3-methylpurine-2,6-dione IUPAC Name: 1,7-bis(4-diethoxyphosphorylbutyl)-3-methylpurine-2,6-dione Traditional Name: 1,7-bis(4-diethoxyphosphorylbutyl)-3-methyl-xanthine Formula: C22H40N4O8P2 MolecularWeight: 550.522522

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CCCCN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCP(=O)(OCC)OCC)OCC

Isomeric SMILES

CCOP(=O)(CCCCN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCP(=O)(OCC)OCC)OCC

InChI

InChI=1S/C22H40N4O8P2/c1-6-31-35(29,32-7-2)16-12-10-14-25-18-23-20-19(25)21(27)26(22(28)24(20)5)15-11-13-17-36(30,33-8-3)34-9-4/h18H,6-17H2,1-5H3