1-(1,3-benzodioxol-5-ylmethyl)-5-[(2-dimethylaminoethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-5-[(2-dimethylaminoethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-5-[(2-dimethylaminoethylamino)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-5-[(2-dimethylaminoethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-5-[(2-dimethylaminoethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[(2-dimethylaminoethylamino)methylene]-1-piperonyl-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C17H20N4O4S MolecularWeight: 376.4301

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCNC=C1C(=O)NC(=S)N(C1=O)CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CN(C)CCNC=C1C(=O)NC(=S)N(C1=O)CC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C17H20N4O4S/c1-20(2)6-5-18-8-12-15(22)19-17(26)21(16(12)23)9-11-3-4-13-14(7-11)25-10-24-13/h3-4,7-8,18H,5-6,9-10H2,1-2H3,(H,19,22,26)