5-(azepan-2-ylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 5-(azepan-2-ylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-(azepan-2-ylidene)-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-(2-azepanylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-(azepan-2-ylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-(azepan-2-ylidene)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C10H13N3O2S MolecularWeight: 239.29412

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=C2C(=O)NC(=S)NC2=O)NCC1

Isomeric SMILES

C1CCC(=C2C(=O)NC(=S)NC2=O)NCC1

InChI

InChI=1S/C10H13N3O2S/c14-8-7(9(15)13-10(16)12-8)6-4-2-1-3-5-11-6/h11H,1-5H2,(H2,12,13,14,15,16)