7-(ethoxymethyl)-3-(phenylmethyl)-1-(4-phosphonatobutyl)purine-2,6-dione

Systemtic Name: 7-(ethoxymethyl)-3-(phenylmethyl)-1-(4-phosphonatobutyl)purine-2,6-dione Openeye Name: 3-benzyl-7-(ethoxymethyl)-1-(4-phosphonatobutyl)purine-2,6-dione CAS Name: 7-(ethoxymethyl)-3-(phenylmethyl)-1-(4-phosphonatobutyl)purine-2,6-dione IUPAC Name: 3-benzyl-7-(ethoxymethyl)-1-(4-phosphonatobutyl)purine-2,6-dione Traditional Name: 3-benzyl-7-(ethoxymethyl)-1-(4-phosphonatobutyl)xanthine Formula: C19H23N4O6P-2 MolecularWeight: 434.382881

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Descriptors Computed from Structure

Canonical SMILES:

CCOCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CCCCP(=O)([O-])[O-]

Isomeric SMILES

CCOCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CCCCP(=O)([O-])[O-]

InChI

InChI=1S/C19H25N4O6P/c1-2-29-14-21-13-20-17-16(21)18(24)22(10-6-7-11-30(26,27)28)19(25)23(17)12-15-8-4-3-5-9-15/h3-5,8-9,13H,2,6-7,10-12,14H2,1H3,(H2,26,27,28)/p-2