5-[(1-methylpyrrol-2-yl)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 5-[(1-methylpyrrol-2-yl)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 1-allyl-5-[(1-methylpyrrol-2-yl)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[(1-methyl-2-pyrrolyl)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[(1-methylpyrrol-2-yl)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1-allyl-5-[(1-methylpyrrol-2-yl)methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C13H13N3O2S MolecularWeight: 275.32622

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C=C2C(=O)NC(=S)N(C2=O)CC=C

Isomeric SMILES

CN1C=CC=C1C=C2C(=O)NC(=S)N(C2=O)CC=C

InChI

InChI=1S/C13H13N3O2S/c1-3-6-16-12(18)10(11(17)14-13(16)19)8-9-5-4-7-15(9)2/h3-5,7-8H,1,6H2,2H3,(H,14,17,19)