1,3-dimethyl-5-[(2-piperazin-4-ium-1-ylethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 1,3-dimethyl-5-[(2-piperazin-4-ium-1-ylethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 1,3-dimethyl-5-[(2-piperazin-4-ium-1-ylethylamino)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 1,3-dimethyl-5-[[2-(1-piperazin-4-iumyl)ethylamino]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 1,3-dimethyl-5-[(2-piperazin-4-ium-1-ylethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1,3-dimethyl-5-[(2-piperazin-4-ium-1-ylethylamino)methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C13H22N5O2S+ MolecularWeight: 312.41108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=CNCCN2CC[NH2+]CC2)C(=O)N(C1=S)C

Isomeric SMILES

CN1C(=O)C(=CNCCN2CC[NH2+]CC2)C(=O)N(C1=S)C

InChI

InChI=1S/C13H21N5O2S/c1-16-11(19)10(12(20)17(2)13(16)21)9-15-5-8-18-6-3-14-4-7-18/h9,14-15H,3-8H2,1-2H3/p+1