4-[7-(1-methoxyethyl)-3-methyl-2,6-bis(oxidanylidene)purin-1-yl]butylphosphonic acid

Systemtic Name: 4-[7-(1-methoxyethyl)-3-methyl-2,6-bis(oxidanylidene)purin-1-yl]butylphosphonic acid Openeye Name: 4-[7-(1-methoxyethyl)-3-methyl-2,6-dioxo-purin-1-yl]butylphosphonic acid CAS Name: 4-[7-(1-methoxyethyl)-3-methyl-2,6-dioxo-1-purinyl]butylphosphonic acid IUPAC Name: 4-[7-(1-methoxyethyl)-3-methyl-2,6-dioxopurin-1-yl]butylphosphonic acid Traditional Name: 4-[2,6-diketo-7-(1-methoxyethyl)-3-methyl-purin-1-yl]butylphosphonic acid Formula: C13H21N4O6P MolecularWeight: 360.302801

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Descriptors Computed from Structure

Canonical SMILES:

CC(N1C=NC2=C1C(=O)N(C(=O)N2C)CCCCP(=O)(O)O)OC

Isomeric SMILES

CC(N1C=NC2=C1C(=O)N(C(=O)N2C)CCCCP(=O)(O)O)OC

InChI

InChI=1S/C13H21N4O6P/c1-9(23-3)17-8-14-11-10(17)12(18)16(13(19)15(11)2)6-4-5-7-24(20,21)22/h8-9H,4-7H2,1-3H3,(H2,20,21,22)