1-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-phenoxyethylsulfanyl)pyrimidine-4,6-dione

Systemtic Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-phenoxyethylsulfanyl)pyrimidine-4,6-dione Openeye Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-phenoxyethylsulfanyl)pyrimidine-4,6-dione CAS Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-phenoxyethylthio)pyrimidine-4,6-dione IUPAC Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-phenoxyethylsulfanyl)pyrimidine-4,6-dione Traditional Name: 1-homoveratryl-2-(2-phenoxyethylthio)pyrimidine-4,6-quinone Formula: C22H24N2O5S MolecularWeight: 428.50136

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN2C(=O)CC(=O)N=C2SCCOC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN2C(=O)CC(=O)N=C2SCCOC3=CC=CC=C3)OC

InChI

InChI=1S/C22H24N2O5S/c1-27-18-9-8-16(14-19(18)28-2)10-11-24-21(26)15-20(25)23-22(24)30-13-12-29-17-6-4-3-5-7-17/h3-9,14H,10-13,15H2,1-2H3