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

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

CCC(CCP(=O)(O)O)N1C(=O)C2=C(N=CN2CC3=CC=CC=C3)N(C1=O)C

Isomeric SMILES

CCC(CCP(=O)(O)O)N1C(=O)C2=C(N=CN2CC3=CC=CC=C3)N(C1=O)C

InChI

InChI=1S/C18H23N4O5P/c1-3-14(9-10-28(25,26)27)22-17(23)15-16(20(2)18(22)24)19-12-21(15)11-13-7-5-4-6-8-13/h4-8,12,14H,3,9-11H2,1-2H3,(H2,25,26,27)