[4-ethyl-4-[3-methyl-2,6-bis(oxidanylidene)purin-7-yl]hexyl]phosphonic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(CCCP(=O)(O)O)N1C=NC2=C1C(=O)NC(=O)N2C

Isomeric SMILES

CCC(CC)(CCCP(=O)(O)O)N1C=NC2=C1C(=O)NC(=O)N2C

InChI

InChI=1S/C14H23N4O5P/c1-4-14(5-2,7-6-8-24(21,22)23)18-9-15-11-10(18)12(19)16-13(20)17(11)3/h9H,4-8H2,1-3H3,(H,16,19,20)(H2,21,22,23)