3-butyl-8-(4-ethoxyphenyl)-7-ethyl-purine-2,6-dione

Systemtic Name: 3-butyl-8-(4-ethoxyphenyl)-7-ethyl-purine-2,6-dione Openeye Name: 3-butyl-8-(4-ethoxyphenyl)-7-ethyl-purine-2,6-dione CAS Name: 3-butyl-8-(4-ethoxyphenyl)-7-ethylpurine-2,6-dione IUPAC Name: 3-butyl-8-(4-ethoxyphenyl)-7-ethylpurine-2,6-dione Traditional Name: 3-butyl-7-ethyl-8-p-phenetyl-xanthine Formula: C19H24N4O3 MolecularWeight: 356.41886

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC=C(C=C3)OCC)CC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC=C(C=C3)OCC)CC

InChI

InChI=1S/C19H24N4O3/c1-4-7-12-23-17-15(18(24)21-19(23)25)22(5-2)16(20-17)13-8-10-14(11-9-13)26-6-3/h8-11H,4-7,12H2,1-3H3,(H,21,24,25)