[4-[(3-azanyl-4,6-dimethyl-thieno[2,3-b]pyridin-7-ium-2-yl)carbonylamino]phenyl]sulfonyl-pyrimidin-2-yl-azanide

Systemtic Name: [4-[(3-azanyl-4,6-dimethyl-thieno[2,3-b]pyridin-7-ium-2-yl)carbonylamino]phenyl]sulfonyl-pyrimidin-2-yl-azanide Openeye Name: [4-[(3-amino-4,6-dimethyl-thieno[2,3-b]pyridin-7-ium-2-carbonyl)amino]phenyl]sulfonyl-pyrimidin-2-yl-azanide CAS Name: [4-[[(3-amino-4,6-dimethyl-2-thieno[2,3-b]pyridin-7-iumyl)-oxomethyl]amino]phenyl]sulfonyl-(2-pyrimidinyl)azanide IUPAC Name: [4-[(3-amino-4,6-dimethylthieno[2,3-b]pyridin-7-ium-2-carbonyl)amino]phenyl]sulfonyl-pyrimidin-2-ylazanide Traditional Name: [4-[(3-amino-4,6-dimethyl-thieno[2,3-b]pyridin-7-ium-2-carbonyl)amino]phenyl]sulfonyl-(2-pyrimidyl)azanide Formula: C20H18N6O3S2 MolecularWeight: 454.52532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C2=C1C(=C(S2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)[N-]C4=NC=CC=N4)N)C

Isomeric SMILES

CC1=CC(=[NH+]C2=C1C(=C(S2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)[N-]C4=NC=CC=N4)N)C

InChI

InChI=1S/C20H18N6O3S2/c1-11-10-12(2)24-19-15(11)16(21)17(30-19)18(27)25-13-4-6-14(7-5-13)31(28,29)26-20-22-8-3-9-23-20/h3-10H,1-2H3,(H4,21,22,23,25,26,27)