1-(4-methoxyphenyl)-3-(6-nitro-1,3-benzothiazol-2-yl)-1,3-diazinane-2,4,6-trione

Systemtic Name: 1-(4-methoxyphenyl)-3-(6-nitro-1,3-benzothiazol-2-yl)-1,3-diazinane-2,4,6-trione Openeye Name: 1-(4-methoxyphenyl)-3-(6-nitro-1,3-benzothiazol-2-yl)hexahydropyrimidine-2,4,6-trione CAS Name: 1-(4-methoxyphenyl)-3-(6-nitro-1,3-benzothiazol-2-yl)-1,3-diazinane-2,4,6-trione IUPAC Name: 1-(4-methoxyphenyl)-3-(6-nitro-1,3-benzothiazol-2-yl)-1,3-diazinane-2,4,6-trione Traditional Name: 1-(4-methoxyphenyl)-3-(6-nitro-1,3-benzothiazol-2-yl)barbituric acid Formula: C18H12N4O6S MolecularWeight: 412.37608

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=O)CC(=O)N(C2=O)C3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=O)CC(=O)N(C2=O)C3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H12N4O6S/c1-28-12-5-2-10(3-6-12)20-15(23)9-16(24)21(18(20)25)17-19-13-7-4-11(22(26)27)8-14(13)29-17/h2-8H,9H2,1H3