N1-[6-methyl-2,4-bis(oxidanylidene)-1H-pyrimidin-5-yl]-N4-(1,3-thiazol-2-yl)benzene-1,4-disulfonamide

Systemtic Name: N1-[6-methyl-2,4-bis(oxidanylidene)-1H-pyrimidin-5-yl]-N4-(1,3-thiazol-2-yl)benzene-1,4-disulfonamide Openeye Name: N1-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N4-thiazol-2-yl-benzene-1,4-disulfonamide CAS Name: N1-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N4-(2-thiazolyl)benzene-1,4-disulfonamide IUPAC Name: 1-N-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-4-N-(1,3-thiazol-2-yl)benzene-1,4-disulfonamide Traditional Name: N-(2,4-diketo-6-methyl-1H-pyrimidin-5-yl)-N'-thiazol-2-yl-benzene-1,4-disulfonamide Formula: C14H13N5O6S3 MolecularWeight: 443.47792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NC(=O)N1)NS(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)NC3=NC=CS3

Isomeric SMILES

CC1=C(C(=O)NC(=O)N1)NS(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)NC3=NC=CS3

InChI

InChI=1S/C14H13N5O6S3/c1-8-11(12(20)17-13(21)16-8)18-27(22,23)9-2-4-10(5-3-9)28(24,25)19-14-15-6-7-26-14/h2-7,18H,1H3,(H,15,19)(H2,16,17,20,21)