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

Systemtic Name: 4-(3-bromanyl-5-ethoxy-4-oxidanyl-phenyl)-6-methyl-N-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide Openeye Name: 4-(3-bromo-5-ethoxy-4-hydroxy-phenyl)-6-methyl-N-phenyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxamide CAS Name: 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-6-methyl-N-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide IUPAC Name: 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-6-methyl-N-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide Traditional Name: 4-(3-bromo-5-ethoxy-4-hydroxy-phenyl)-6-methyl-N-phenyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxamide Formula: C20H20BrN3O3S MolecularWeight: 462.3601

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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=C3)Br)O

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C2C(=C(NC(=S)N2)C)C(=O)NC3=CC=CC=C3)Br)O

InChI

InChI=1S/C20H20BrN3O3S/c1-3-27-15-10-12(9-14(21)18(15)25)17-16(11(2)22-20(28)24-17)19(26)23-13-7-5-4-6-8-13/h4-10,17,25H,3H2,1-2H3,(H,23,26)(H2,22,24,28)