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

Systemtic Name: 4-[3-methyl-2,6-bis(oxidanylidene)-1-(phenylmethyl)purin-7-yl]butylphosphonic acid Openeye Name: 4-(1-benzyl-3-methyl-2,6-dioxo-purin-7-yl)butylphosphonic acid CAS Name: 4-[3-methyl-2,6-dioxo-1-(phenylmethyl)-7-purinyl]butylphosphonic acid IUPAC Name: 4-(1-benzyl-3-methyl-2,6-dioxopurin-7-yl)butylphosphonic acid Traditional Name: 4-(1-benzyl-2,6-diketo-3-methyl-purin-7-yl)butylphosphonic acid Formula: C17H21N4O5P MolecularWeight: 392.346201

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N4O5P/c1-19-15-14(20(12-18-15)9-5-6-10-27(24,25)26)16(22)21(17(19)23)11-13-7-3-2-4-8-13/h2-4,7-8,12H,5-6,9-11H2,1H3,(H2,24,25,26)