(5E)-5-[[(4-methylpiperazin-4-ium-1-yl)amino]methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: (5E)-5-[[(4-methylpiperazin-4-ium-1-yl)amino]methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: (5E)-1-allyl-5-[[(4-methylpiperazin-4-ium-1-yl)amino]methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: (5E)-5-[[(4-methyl-1-piperazin-4-iumyl)amino]methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: (5E)-5-[[(4-methylpiperazin-4-ium-1-yl)amino]methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: (5E)-1-allyl-5-[[(4-methylpiperazin-4-ium-1-yl)amino]methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C13H20N5O2S+ MolecularWeight: 310.3952

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)NC=C2C(=O)NC(=S)N(C2=O)CC=C

Isomeric SMILES

C[NH+]1CCN(CC1)N/C=C/2\C(=O)NC(=S)N(C2=O)CC=C

InChI

InChI=1S/C13H19N5O2S/c1-3-4-18-12(20)10(11(19)15-13(18)21)9-14-17-7-5-16(2)6-8-17/h3,9,14H,1,4-8H2,2H3,(H,15,19,21)/p+1/b10-9+