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

Systemtic Name: 4-[3-methyl-7-(2-methylpropyl)-2,6-bis(oxidanylidene)purin-1-yl]butylphosphonic acid Openeye Name: 4-(7-isobutyl-3-methyl-2,6-dioxo-purin-1-yl)butylphosphonic acid CAS Name: 4-[3-methyl-7-(2-methylpropyl)-2,6-dioxo-1-purinyl]butylphosphonic acid IUPAC Name: 4-[3-methyl-7-(2-methylpropyl)-2,6-dioxopurin-1-yl]butylphosphonic acid Traditional Name: 4-(7-isobutyl-2,6-diketo-3-methyl-purin-1-yl)butylphosphonic acid Formula: C14H23N4O5P MolecularWeight: 358.329981

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCP(=O)(O)O

Isomeric SMILES

CC(C)CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCP(=O)(O)O

InChI

InChI=1S/C14H23N4O5P/c1-10(2)8-17-9-15-12-11(17)13(19)18(14(20)16(12)3)6-4-5-7-24(21,22)23/h9-10H,4-8H2,1-3H3,(H2,21,22,23)