methyl 6-(6-bromanyl-1,3-benzodioxol-5-yl)-4-methyl-3-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: methyl 6-(6-bromanyl-1,3-benzodioxol-5-yl)-4-methyl-3-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl 6-(6-bromo-1,3-benzodioxol-5-yl)-4-methyl-3-phenyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-(6-bromo-1,3-benzodioxol-5-yl)-4-methyl-3-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 6-(6-bromo-1,3-benzodioxol-5-yl)-4-methyl-3-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-(6-bromo-1,3-benzodioxol-5-yl)-4-methyl-3-phenyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C20H17BrN2O4S MolecularWeight: 461.32898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1C2=CC=CC=C2)C3=CC4=C(C=C3Br)OCO4)C(=O)OC

Isomeric SMILES

CC1=C(C(NC(=S)N1C2=CC=CC=C2)C3=CC4=C(C=C3Br)OCO4)C(=O)OC

InChI

InChI=1S/C20H17BrN2O4S/c1-11-17(19(24)25-2)18(13-8-15-16(9-14(13)21)27-10-26-15)22-20(28)23(11)12-6-4-3-5-7-12/h3-9,18H,10H2,1-2H3,(H,22,28)