5-[[(4-bromanyl-6-methyl-1,3-benzothiazol-2-yl)amino]methylidene]-1,3-diazinane-2,4,6-trione

Systemtic Name: 5-[[(4-bromanyl-6-methyl-1,3-benzothiazol-2-yl)amino]methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 5-[[(4-bromo-6-methyl-1,3-benzothiazol-2-yl)amino]methylene]hexahydropyrimidine-2,4,6-trione CAS Name: 5-[[(4-bromo-6-methyl-1,3-benzothiazol-2-yl)amino]methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[[(4-bromo-6-methyl-1,3-benzothiazol-2-yl)amino]methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 5-[[(4-bromo-6-methyl-1,3-benzothiazol-2-yl)amino]methylene]barbituric acid Formula: C13H9BrN4O3S MolecularWeight: 381.20456

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C1)Br)N=C(S2)NC=C3C(=O)NC(=O)NC3=O

Isomeric SMILES

CC1=CC2=C(C(=C1)Br)N=C(S2)NC=C3C(=O)NC(=O)NC3=O

InChI

InChI=1S/C13H9BrN4O3S/c1-5-2-7(14)9-8(3-5)22-13(16-9)15-4-6-10(19)17-12(21)18-11(6)20/h2-4H,1H3,(H,15,16)(H2,17,18,19,20,21)