1,3-dimethyl-5-[(4-prop-2-ynoxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 1,3-dimethyl-5-[(4-prop-2-ynoxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 1,3-dimethyl-5-[(4-prop-2-ynoxyphenyl)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 1,3-dimethyl-5-[(4-prop-2-ynoxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 1,3-dimethyl-5-[(4-prop-2-ynoxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1,3-dimethyl-5-(4-propargyloxybenzylidene)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C16H14N2O3S MolecularWeight: 314.35896

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=CC2=CC=C(C=C2)OCC#C)C(=O)N(C1=S)C

Isomeric SMILES

CN1C(=O)C(=CC2=CC=C(C=C2)OCC#C)C(=O)N(C1=S)C

InChI

InChI=1S/C16H14N2O3S/c1-4-9-21-12-7-5-11(6-8-12)10-13-14(19)17(2)16(22)18(3)15(13)20/h1,5-8,10H,9H2,2-3H3