8-(hydroxymethyl)-7-(3-oxidanylidenebutan-2-yl)-3-(phenylmethyl)-1-propyl-purine-2,6-dione

Systemtic Name: 8-(hydroxymethyl)-7-(3-oxidanylidenebutan-2-yl)-3-(phenylmethyl)-1-propyl-purine-2,6-dione Openeye Name: 3-benzyl-8-(hydroxymethyl)-7-(1-methyl-2-oxo-propyl)-1-propyl-purine-2,6-dione CAS Name: 8-(hydroxymethyl)-7-(3-oxobutan-2-yl)-3-(phenylmethyl)-1-propylpurine-2,6-dione IUPAC Name: 3-benzyl-8-(hydroxymethyl)-7-(3-oxobutan-2-yl)-1-propylpurine-2,6-dione Traditional Name: 3-benzyl-7-(2-keto-1-methyl-propyl)-8-methylol-1-propyl-xanthine Formula: C20H24N4O4 MolecularWeight: 384.42896

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(N=C(N2C(C)C(=O)C)CO)N(C1=O)CC3=CC=CC=C3

Isomeric SMILES

CCCN1C(=O)C2=C(N=C(N2C(C)C(=O)C)CO)N(C1=O)CC3=CC=CC=C3

InChI

InChI=1S/C20H24N4O4/c1-4-10-22-19(27)17-18(21-16(12-25)24(17)13(2)14(3)26)23(20(22)28)11-15-8-6-5-7-9-15/h5-9,13,25H,4,10-12H2,1-3H3