potassium; 4,6-bis(chloranyl)-5-prop-2-enyl-4H-pyrimidin-3-ide; 4-methylbenzenesulfonamide

Systemtic Name: potassium; 4,6-bis(chloranyl)-5-prop-2-enyl-4H-pyrimidin-3-ide; 4-methylbenzenesulfonamide Openeye Name: potassium; 5-allyl-4,6-dichloro-4H-pyrimidin-3-ide; 4-methylbenzenesulfonamide CAS Name: potassium; 4,6-dichloro-5-prop-2-enyl-4H-pyrimidin-3-ide; 4-methylbenzenesulfonamide IUPAC Name: potassium; 4,6-dichloro-5-prop-2-enyl-4H-pyrimidin-3-ide; 4-methylbenzenesulfonamide Traditional Name: potassium; 5-allyl-4,6-dichloro-4H-pyrimidin-3-ide; 4-methylbenzenesulfonamide Formula: C14H16Cl2KN3O2S MolecularWeight: 400.36504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N.C=CCC1=C(N=C[N-]C1Cl)Cl.[K+]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N.C=CCC1=C(N=C[N-]C1Cl)Cl.[K+]

InChI

InChI=1S/C7H7Cl2N2.C7H9NO2S.K/c1-2-3-5-6(8)10-4-11-7(5)9;1-6-2-4-7(5-3-6)11(8,9)10;/h2,4,6H,1,3H2;2-5H,1H3,(H2,8,9,10);/q-1;;+1