1-(4-ethoxyphenyl)-5-[(pyridin-3-ylmethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 1-(4-ethoxyphenyl)-5-[(pyridin-3-ylmethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 1-(4-ethoxyphenyl)-5-[(3-pyridylmethylamino)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 1-(4-ethoxyphenyl)-5-[(3-pyridinylmethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 1-(4-ethoxyphenyl)-5-[(pyridin-3-ylmethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1-p-phenetyl-5-[(3-pyridylmethylamino)methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C19H18N4O3S MolecularWeight: 382.43622

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)C(=CNCC3=CN=CC=C3)C(=O)NC2=S

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)C(=CNCC3=CN=CC=C3)C(=O)NC2=S

InChI

InChI=1S/C19H18N4O3S/c1-2-26-15-7-5-14(6-8-15)23-18(25)16(17(24)22-19(23)27)12-21-11-13-4-3-9-20-10-13/h3-10,12,21H,2,11H2,1H3,(H,22,24,27)