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

Systemtic Name: 4-(2-bromanyl-5-ethoxy-4-oxidanyl-phenyl)-6-methyl-N-(phenylmethyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide Openeye Name: N-benzyl-4-(2-bromo-5-ethoxy-4-hydroxy-phenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxamide CAS Name: 4-(2-bromo-5-ethoxy-4-hydroxyphenyl)-6-methyl-N-(phenylmethyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide IUPAC Name: N-benzyl-4-(2-bromo-5-ethoxy-4-hydroxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide Traditional Name: N-benzyl-4-(2-bromo-5-ethoxy-4-hydroxy-phenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxamide Formula: C21H22BrN3O3S MolecularWeight: 476.38668

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)C2C(=C(NC(=S)N2)C)C(=O)NCC3=CC=CC=C3)Br)O

Isomeric SMILES

CCOC1=C(C=C(C(=C1)C2C(=C(NC(=S)N2)C)C(=O)NCC3=CC=CC=C3)Br)O

InChI

InChI=1S/C21H22BrN3O3S/c1-3-28-17-9-14(15(22)10-16(17)26)19-18(12(2)24-21(29)25-19)20(27)23-11-13-7-5-4-6-8-13/h4-10,19,26H,3,11H2,1-2H3,(H,23,27)(H2,24,25,29)