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

Systemtic Name: 4-[3-ethyl-2,6-bis(oxidanylidene)-7-(phenylmethyl)purin-1-yl]butylphosphonic acid Openeye Name: 4-(7-benzyl-3-ethyl-2,6-dioxo-purin-1-yl)butylphosphonic acid CAS Name: 4-[3-ethyl-2,6-dioxo-7-(phenylmethyl)-1-purinyl]butylphosphonic acid IUPAC Name: 4-(7-benzyl-3-ethyl-2,6-dioxopurin-1-yl)butylphosphonic acid Traditional Name: 4-(7-benzyl-3-ethyl-2,6-diketo-purin-1-yl)butylphosphonic acid Formula: C18H23N4O5P MolecularWeight: 406.372781

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=O)N(C1=O)CCCCP(=O)(O)O)N(C=N2)CC3=CC=CC=C3

Isomeric SMILES

CCN1C2=C(C(=O)N(C1=O)CCCCP(=O)(O)O)N(C=N2)CC3=CC=CC=C3

InChI

InChI=1S/C18H23N4O5P/c1-2-21-16-15(20(13-19-16)12-14-8-4-3-5-9-14)17(23)22(18(21)24)10-6-7-11-28(25,26)27/h3-5,8-9,13H,2,6-7,10-12H2,1H3,(H2,25,26,27)