4-(3-bromanyl-5-ethoxy-4-oxidanyl-phenyl)-N-(2-methoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide

Systemtic Name: 4-(3-bromanyl-5-ethoxy-4-oxidanyl-phenyl)-N-(2-methoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide Openeye Name: 4-(3-bromo-5-ethoxy-4-hydroxy-phenyl)-N-(2-methoxyphenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxamide CAS Name: 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-N-(2-methoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide IUPAC Name: 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-N-(2-methoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide Traditional Name: 4-(3-bromo-5-ethoxy-4-hydroxy-phenyl)-N-(2-methoxyphenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxamide Formula: C21H22BrN3O4S MolecularWeight: 492.38608

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C2C(=C(NC(=S)N2)C)C(=O)NC3=CC=CC=C3OC)Br)O

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C2C(=C(NC(=S)N2)C)C(=O)NC3=CC=CC=C3OC)Br)O

InChI

InChI=1S/C21H22BrN3O4S/c1-4-29-16-10-12(9-13(22)19(16)26)18-17(11(2)23-21(30)25-18)20(27)24-14-7-5-6-8-15(14)28-3/h5-10,18,26H,4H2,1-3H3,(H,24,27)(H2,23,25,30)