8-[4-(diethoxyphosphorylmethyl)phenyl]-1,3-dimethyl-7H-purine-2,6-dione

Systemtic Name: 8-[4-(diethoxyphosphorylmethyl)phenyl]-1,3-dimethyl-7H-purine-2,6-dione Openeye Name: 8-[4-(diethoxyphosphorylmethyl)phenyl]-1,3-dimethyl-7H-purine-2,6-dione CAS Name: 8-[4-(diethoxyphosphorylmethyl)phenyl]-1,3-dimethyl-7H-purine-2,6-dione IUPAC Name: 8-[4-(diethoxyphosphorylmethyl)phenyl]-1,3-dimethyl-7H-purine-2,6-dione Traditional Name: 8-[4-(diethoxyphosphorylmethyl)phenyl]-1,3-dimethyl-7H-purine-2,6-quinone Formula: C18H23N4O5P MolecularWeight: 406.372781

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CC1=CC=C(C=C1)C2=NC3=C(N2)C(=O)N(C(=O)N3C)C)OCC

Isomeric SMILES

CCOP(=O)(CC1=CC=C(C=C1)C2=NC3=C(N2)C(=O)N(C(=O)N3C)C)OCC

InChI

InChI=1S/C18H23N4O5P/c1-5-26-28(25,27-6-2)11-12-7-9-13(10-8-12)15-19-14-16(20-15)21(3)18(24)22(4)17(14)23/h7-10H,5-6,11H2,1-4H3,(H,19,20)