5-[(4-methylpentylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 5-[(4-methylpentylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[(isohexylamino)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[(4-methylpentylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[(4-methylpentylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[(isohexylamino)methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C11H17N3O2S MolecularWeight: 255.33658

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCNC=C1C(=O)NC(=S)NC1=O

Isomeric SMILES

CC(C)CCCNC=C1C(=O)NC(=S)NC1=O

InChI

InChI=1S/C11H17N3O2S/c1-7(2)4-3-5-12-6-8-9(15)13-11(17)14-10(8)16/h6-7,12H,3-5H2,1-2H3,(H2,13,14,15,16,17)