3-butyl-7-methyl-8-(2,4,5-trimethoxyphenyl)purine-2,6-dione

Systemtic Name: 3-butyl-7-methyl-8-(2,4,5-trimethoxyphenyl)purine-2,6-dione Openeye Name: 3-butyl-7-methyl-8-(2,4,5-trimethoxyphenyl)purine-2,6-dione CAS Name: 3-butyl-7-methyl-8-(2,4,5-trimethoxyphenyl)purine-2,6-dione IUPAC Name: 3-butyl-7-methyl-8-(2,4,5-trimethoxyphenyl)purine-2,6-dione Traditional Name: 8-asaryl-3-butyl-7-methyl-xanthine Formula: C19H24N4O5 MolecularWeight: 388.41766

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC(=C(C=C3OC)OC)OC)C

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC(=C(C=C3OC)OC)OC)C

InChI

InChI=1S/C19H24N4O5/c1-6-7-8-23-17-15(18(24)21-19(23)25)22(2)16(20-17)11-9-13(27-4)14(28-5)10-12(11)26-3/h9-10H,6-8H2,1-5H3,(H,21,24,25)