5-[3-methyl-2,6-bis(oxidanylidene)-7-propyl-purin-1-yl]pentylphosphonic acid

Systemtic Name: 5-[3-methyl-2,6-bis(oxidanylidene)-7-propyl-purin-1-yl]pentylphosphonic acid Openeye Name: 5-(3-methyl-2,6-dioxo-7-propyl-purin-1-yl)pentylphosphonic acid CAS Name: 5-(3-methyl-2,6-dioxo-7-propyl-1-purinyl)pentylphosphonic acid IUPAC Name: 5-(3-methyl-2,6-dioxo-7-propylpurin-1-yl)pentylphosphonic acid Traditional Name: 5-(2,6-diketo-3-methyl-7-propyl-purin-1-yl)pentylphosphonic acid Formula: C14H23N4O5P MolecularWeight: 358.329981

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCCP(=O)(O)O

Isomeric SMILES

CCCN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCCP(=O)(O)O

InChI

InChI=1S/C14H23N4O5P/c1-3-7-17-10-15-12-11(17)13(19)18(14(20)16(12)2)8-5-4-6-9-24(21,22)23/h10H,3-9H2,1-2H3,(H2,21,22,23)