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

Systemtic Name: 5-[3-methyl-2,6-bis(oxidanylidene)-7-(phenylmethyl)purin-1-yl]pentylphosphonic acid Openeye Name: 5-(7-benzyl-3-methyl-2,6-dioxo-purin-1-yl)pentylphosphonic acid CAS Name: 5-[3-methyl-2,6-dioxo-7-(phenylmethyl)-1-purinyl]pentylphosphonic acid IUPAC Name: 5-(7-benzyl-3-methyl-2,6-dioxopurin-1-yl)pentylphosphonic acid Traditional Name: 5-(7-benzyl-2,6-diketo-3-methyl-purin-1-yl)pentylphosphonic acid Formula: C18H23N4O5P MolecularWeight: 406.372781

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)CCCCCP(=O)(O)O)N(C=N2)CC3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)CCCCCP(=O)(O)O)N(C=N2)CC3=CC=CC=C3

InChI

InChI=1S/C18H23N4O5P/c1-20-16-15(21(13-19-16)12-14-8-4-2-5-9-14)17(23)22(18(20)24)10-6-3-7-11-28(25,26)27/h2,4-5,8-9,13H,3,6-7,10-12H2,1H3,(H2,25,26,27)