5-[(3E)-3-(1-isocyanopropylidene)-2-methyl-isoindol-1-ylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione

Systemtic Name: 5-[(3E)-3-(1-isocyanopropylidene)-2-methyl-isoindol-1-ylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione Openeye Name: 5-[(3E)-3-(1-isocyanopropylidene)-2-methyl-isoindolin-1-ylidene]-1,3-dimethyl-hexahydropyrimidine-2,4,6-trione CAS Name: 5-[(3E)-3-(1-isocyanopropylidene)-2-methyl-1-isoindolylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[(3E)-3-(1-isocyanopropylidene)-2-methylisoindol-1-ylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione Traditional Name: 5-[(3E)-3-(1-isocyanopropylidene)-2-methyl-isoindolin-1-ylidene]-1,3-dimethyl-barbituric acid Formula: C19H18N4O3 MolecularWeight: 350.37122

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C1C2=CC=CC=C2C(=C3C(=O)N(C(=O)N(C3=O)C)C)N1C)[N+]#[C-]

Isomeric SMILES

CC/C(=C\1/C2=CC=CC=C2C(=C3C(=O)N(C(=O)N(C3=O)C)C)N1C)/[N+]#[C-]

InChI

InChI=1S/C19H18N4O3/c1-6-13(20-2)15-11-9-7-8-10-12(11)16(21(15)3)14-17(24)22(4)19(26)23(5)18(14)25/h7-10H,6H2,1,3-5H3/b15-13+