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

Systemtic Name: 5-[7-butyl-3-methyl-2,6-bis(oxidanylidene)purin-1-yl]pentylphosphonic acid Openeye Name: 5-(7-butyl-3-methyl-2,6-dioxo-purin-1-yl)pentylphosphonic acid CAS Name: 5-(7-butyl-3-methyl-2,6-dioxo-1-purinyl)pentylphosphonic acid IUPAC Name: 5-(7-butyl-3-methyl-2,6-dioxopurin-1-yl)pentylphosphonic acid Traditional Name: 5-(7-butyl-2,6-diketo-3-methyl-purin-1-yl)pentylphosphonic acid Formula: C15H25N4O5P MolecularWeight: 372.356561

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCCP(=O)(O)O

Isomeric SMILES

CCCCN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCCP(=O)(O)O

InChI

InChI=1S/C15H25N4O5P/c1-3-4-8-18-11-16-13-12(18)14(20)19(15(21)17(13)2)9-6-5-7-10-25(22,23)24/h11H,3-10H2,1-2H3,(H2,22,23,24)