ethyl 4-(1,3-benzodioxol-5-yl)-6-methyl-2-methylsulfanyl-1-phenyl-4H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-(1,3-benzodioxol-5-yl)-6-methyl-2-methylsulfanyl-1-phenyl-4H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(1,3-benzodioxol-5-yl)-6-methyl-2-methylsulfanyl-1-phenyl-4H-pyrimidine-5-carboxylate CAS Name: 4-(1,3-benzodioxol-5-yl)-6-methyl-2-(methylthio)-1-phenyl-4H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(1,3-benzodioxol-5-yl)-6-methyl-2-methylsulfanyl-1-phenyl-4H-pyrimidine-5-carboxylate Traditional Name: 4-(1,3-benzodioxol-5-yl)-6-methyl-2-(methylthio)-1-phenyl-4H-pyrimidine-5-carboxylic acid ethyl ester Formula: C22H22N2O4S MolecularWeight: 410.48608

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=NC1C2=CC3=C(C=C2)OCO3)SC)C4=CC=CC=C4)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=NC1C2=CC3=C(C=C2)OCO3)SC)C4=CC=CC=C4)C

InChI

InChI=1S/C22H22N2O4S/c1-4-26-21(25)19-14(2)24(16-8-6-5-7-9-16)22(29-3)23-20(19)15-10-11-17-18(12-15)28-13-27-17/h5-12,20H,4,13H2,1-3H3