methyl 6-(3-bromanyl-5-ethoxy-4-oxidanyl-phenyl)-4-methyl-3-prop-2-enyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: methyl 6-(3-bromanyl-5-ethoxy-4-oxidanyl-phenyl)-4-methyl-3-prop-2-enyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl 3-allyl-6-(3-bromo-5-ethoxy-4-hydroxy-phenyl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-(3-bromo-5-ethoxy-4-hydroxyphenyl)-4-methyl-3-prop-2-enyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 6-(3-bromo-5-ethoxy-4-hydroxyphenyl)-4-methyl-3-prop-2-enyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-allyl-6-(3-bromo-5-ethoxy-4-hydroxy-phenyl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C18H21BrN2O4S MolecularWeight: 441.33934

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C2C(=C(N(C(=S)N2)CC=C)C)C(=O)OC)Br)O

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C2C(=C(N(C(=S)N2)CC=C)C)C(=O)OC)Br)O

InChI

InChI=1S/C18H21BrN2O4S/c1-5-7-21-10(3)14(17(23)24-4)15(20-18(21)26)11-8-12(19)16(22)13(9-11)25-6-2/h5,8-9,15,22H,1,6-7H2,2-4H3,(H,20,26)