5-[(3-bromanyl-5-methoxy-4-prop-2-ynoxy-phenyl)methylidene]-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 5-[(3-bromanyl-5-methoxy-4-prop-2-ynoxy-phenyl)methylidene]-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[(3-bromo-5-methoxy-4-prop-2-ynoxy-phenyl)methylene]-1-methyl-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[(3-bromo-5-methoxy-4-prop-2-ynoxyphenyl)methylidene]-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[(3-bromo-5-methoxy-4-prop-2-ynoxyphenyl)methylidene]-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-(3-bromo-5-methoxy-4-propargyloxy-benzylidene)-1-methyl-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C16H13BrN2O4S MolecularWeight: 409.25442

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=CC2=CC(=C(C(=C2)Br)OCC#C)OC)C(=O)NC1=S

Isomeric SMILES

CN1C(=O)C(=CC2=CC(=C(C(=C2)Br)OCC#C)OC)C(=O)NC1=S

InChI

InChI=1S/C16H13BrN2O4S/c1-4-5-23-13-11(17)7-9(8-12(13)22-3)6-10-14(20)18-16(24)19(2)15(10)21/h1,6-8H,5H2,2-3H3,(H,18,20,24)