5-(piperazin-1-ylmethylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 5-(piperazin-1-ylmethylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-(piperazin-1-ylmethylene)-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-(1-piperazinylmethylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-(piperazin-1-ylmethylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-(piperazinomethylene)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C9H12N4O2S MolecularWeight: 240.28218

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C=C2C(=O)NC(=S)NC2=O

Isomeric SMILES

C1CN(CCN1)C=C2C(=O)NC(=S)NC2=O

InChI

InChI=1S/C9H12N4O2S/c14-7-6(8(15)12-9(16)11-7)5-13-3-1-10-2-4-13/h5,10H,1-4H2,(H2,11,12,14,15,16)