tert-butyl 4-(3-bromanyl-5-methoxy-4-prop-2-ynoxy-phenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: tert-butyl 4-(3-bromanyl-5-methoxy-4-prop-2-ynoxy-phenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: tert-butyl 4-(3-bromo-5-methoxy-4-prop-2-ynoxy-phenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(3-bromo-5-methoxy-4-prop-2-ynoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(3-bromo-5-methoxy-4-prop-2-ynoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(3-bromo-5-methoxy-4-propargyloxy-phenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid tert-butyl ester Formula: C20H23BrN2O4S MolecularWeight: 467.37662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1)C2=CC(=C(C(=C2)Br)OCC#C)OC)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(C(NC(=S)N1)C2=CC(=C(C(=C2)Br)OCC#C)OC)C(=O)OC(C)(C)C

InChI

InChI=1S/C20H23BrN2O4S/c1-7-8-26-17-13(21)9-12(10-14(17)25-6)16-15(11(2)22-19(28)23-16)18(24)27-20(3,4)5/h1,9-10,16H,8H2,2-6H3,(H2,22,23,28)