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

Systemtic Name: 5-[(2-piperazin-4-ium-1-ylethylamino)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 1-allyl-5-[(2-piperazin-4-ium-1-ylethylamino)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[[2-(1-piperazin-4-iumyl)ethylamino]methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[(2-piperazin-4-ium-1-ylethylamino)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1-allyl-5-[(2-piperazin-4-ium-1-ylethylamino)methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C14H22N5O2S+ MolecularWeight: 324.42178

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C(=CNCCN2CC[NH2+]CC2)C(=O)NC1=S

Isomeric SMILES

C=CCN1C(=O)C(=CNCCN2CC[NH2+]CC2)C(=O)NC1=S

InChI

InChI=1S/C14H21N5O2S/c1-2-6-19-13(21)11(12(20)17-14(19)22)10-16-5-9-18-7-3-15-4-8-18/h2,10,15-16H,1,3-9H2,(H,17,20,22)/p+1