7-(2-methyl-1,3-dioxolan-2-yl)-1-(3-oxidanylidenebutyl)-3-(phenylmethyl)purine-2,6-dione

Systemtic Name: 7-(2-methyl-1,3-dioxolan-2-yl)-1-(3-oxidanylidenebutyl)-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-7-(2-methyl-1,3-dioxolan-2-yl)-1-(3-oxobutyl)purine-2,6-dione CAS Name: 7-(2-methyl-1,3-dioxolan-2-yl)-1-(3-oxobutyl)-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-7-(2-methyl-1,3-dioxolan-2-yl)-1-(3-oxobutyl)purine-2,6-dione Traditional Name: 3-benzyl-1-(3-ketobutyl)-7-(2-methyl-1,3-dioxolan-2-yl)xanthine Formula: C20H22N4O5 MolecularWeight: 398.41248

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCN1C(=O)C2=C(N=CN2C3(OCCO3)C)N(C1=O)CC4=CC=CC=C4

Isomeric SMILES

CC(=O)CCN1C(=O)C2=C(N=CN2C3(OCCO3)C)N(C1=O)CC4=CC=CC=C4

InChI

InChI=1S/C20H22N4O5/c1-14(25)8-9-22-18(26)16-17(21-13-24(16)20(2)28-10-11-29-20)23(19(22)27)12-15-6-4-3-5-7-15/h3-7,13H,8-12H2,1-2H3