4-(1,3-benzodioxol-5-yloxy)-6-ethyl-2-[(4-methylphenyl)methylsulfanyl]pyrimidine

Systemtic Name: 4-(1,3-benzodioxol-5-yloxy)-6-ethyl-2-[(4-methylphenyl)methylsulfanyl]pyrimidine Openeye Name: 4-(1,3-benzodioxol-5-yloxy)-6-ethyl-2-(p-tolylmethylsulfanyl)pyrimidine CAS Name: 4-(1,3-benzodioxol-5-yloxy)-6-ethyl-2-[(4-methylphenyl)methylthio]pyrimidine IUPAC Name: 4-(1,3-benzodioxol-5-yloxy)-6-ethyl-2-[(4-methylphenyl)methylsulfanyl]pyrimidine Traditional Name: 4-(1,3-benzodioxol-5-yloxy)-6-ethyl-2-[(4-methylbenzyl)thio]pyrimidine Formula: C21H20N2O3S MolecularWeight: 380.4601

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C)OC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C)OC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H20N2O3S/c1-3-16-10-20(26-17-8-9-18-19(11-17)25-13-24-18)23-21(22-16)27-12-15-6-4-14(2)5-7-15/h4-11H,3,12-13H2,1-2H3