4-[4-(2-azanyl-2-oxidanylidene-ethoxy)-3-bromanyl-5-ethoxy-phenyl]-6-methyl-N-(3-methylphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide

Systemtic Name: 4-[4-(2-azanyl-2-oxidanylidene-ethoxy)-3-bromanyl-5-ethoxy-phenyl]-6-methyl-N-(3-methylphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide Openeye Name: 4-[4-(2-amino-2-oxo-ethoxy)-3-bromo-5-ethoxy-phenyl]-6-methyl-N-(m-tolyl)-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxamide CAS Name: 4-[4-(2-amino-2-oxoethoxy)-3-bromo-5-ethoxyphenyl]-6-methyl-N-(3-methylphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide IUPAC Name: 4-[4-(2-amino-2-oxoethoxy)-3-bromo-5-ethoxyphenyl]-6-methyl-N-(3-methylphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide Traditional Name: 4-[4-(2-amino-2-keto-ethoxy)-3-bromo-5-ethoxy-phenyl]-6-methyl-N-(m-tolyl)-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxamide Formula: C23H25BrN4O4S MolecularWeight: 533.438

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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)C)Br)OCC(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C23H25BrN4O4S/c1-4-31-17-10-14(9-16(24)21(17)32-11-18(25)29)20-19(13(3)26-23(33)28-20)22(30)27-15-7-5-6-12(2)8-15/h5-10,20H,4,11H2,1-3H3,(H2,25,29)(H,27,30)(H2,26,28,33)