4-[[5-cyano-6-(4-methoxyphenyl)-4-oxidanylidene-1H-pyrimidin-2-yl]amino]benzenesulfonamide

Systemtic Name: 4-[[5-cyano-6-(4-methoxyphenyl)-4-oxidanylidene-1H-pyrimidin-2-yl]amino]benzenesulfonamide Openeye Name: 4-[[5-cyano-6-(4-methoxyphenyl)-4-oxo-1H-pyrimidin-2-yl]amino]benzenesulfonamide CAS Name: 4-[[5-cyano-6-(4-methoxyphenyl)-4-oxo-1H-pyrimidin-2-yl]amino]benzenesulfonamide IUPAC Name: 4-[[5-cyano-6-(4-methoxyphenyl)-4-oxo-1H-pyrimidin-2-yl]amino]benzenesulfonamide Traditional Name: 4-[[5-cyano-4-keto-6-(4-methoxyphenyl)-1H-pyrimidin-2-yl]amino]benzenesulfonamide Formula: C18H15N5O4S MolecularWeight: 397.4078

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(C(=O)N=C(N2)NC3=CC=C(C=C3)S(=O)(=O)N)C#N

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(C(=O)N=C(N2)NC3=CC=C(C=C3)S(=O)(=O)N)C#N

InChI

InChI=1S/C18H15N5O4S/c1-27-13-6-2-11(3-7-13)16-15(10-19)17(24)23-18(22-16)21-12-4-8-14(9-5-12)28(20,25)26/h2-9H,1H3,(H2,20,25,26)(H2,21,22,23,24)