7-ethyl-8-(4-ethylphenoxy)-3-methyl-1-(phenylmethyl)purine-2,6-dione

Systemtic Name: 7-ethyl-8-(4-ethylphenoxy)-3-methyl-1-(phenylmethyl)purine-2,6-dione Openeye Name: 1-benzyl-7-ethyl-8-(4-ethylphenoxy)-3-methyl-purine-2,6-dione CAS Name: 7-ethyl-8-(4-ethylphenoxy)-3-methyl-1-(phenylmethyl)purine-2,6-dione IUPAC Name: 1-benzyl-7-ethyl-8-(4-ethylphenoxy)-3-methylpurine-2,6-dione Traditional Name: 1-benzyl-7-ethyl-8-(4-ethylphenoxy)-3-methyl-xanthine Formula: C23H24N4O3 MolecularWeight: 404.46166

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OC2=NC3=C(N2CC)C(=O)N(C(=O)N3C)CC4=CC=CC=C4

Isomeric SMILES

CCC1=CC=C(C=C1)OC2=NC3=C(N2CC)C(=O)N(C(=O)N3C)CC4=CC=CC=C4

InChI

InChI=1S/C23H24N4O3/c1-4-16-11-13-18(14-12-16)30-22-24-20-19(26(22)5-2)21(28)27(23(29)25(20)3)15-17-9-7-6-8-10-17/h6-14H,4-5,15H2,1-3H3