5-[[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]methylidene]-1-prop-2-enyl-1,3-diazinane-2,4,6-trione

Systemtic Name: 5-[[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]methylidene]-1-prop-2-enyl-1,3-diazinane-2,4,6-trione Openeye Name: 1-allyl-5-[[4-methoxy-3-(2-pyridylsulfanylmethyl)phenyl]methylene]hexahydropyrimidine-2,4,6-trione CAS Name: 5-[[4-methoxy-3-[(2-pyridinylthio)methyl]phenyl]methylidene]-1-prop-2-enyl-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]methylidene]-1-prop-2-enyl-1,3-diazinane-2,4,6-trione Traditional Name: 1-allyl-5-[4-methoxy-3-[(2-pyridylthio)methyl]benzylidene]barbituric acid Formula: C21H19N3O4S MolecularWeight: 409.45826

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=C2C(=O)NC(=O)N(C2=O)CC=C)CSC3=CC=CC=N3

Isomeric SMILES

COC1=C(C=C(C=C1)C=C2C(=O)NC(=O)N(C2=O)CC=C)CSC3=CC=CC=N3

InChI

InChI=1S/C21H19N3O4S/c1-3-10-24-20(26)16(19(25)23-21(24)27)12-14-7-8-17(28-2)15(11-14)13-29-18-6-4-5-9-22-18/h3-9,11-12H,1,10,13H2,2H3,(H,23,25,27)