N,N-diethyl-4-[[5-nitro-6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]amino]benzenesulfonamide

Systemtic Name: N,N-diethyl-4-[[5-nitro-6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]amino]benzenesulfonamide Openeye Name: N,N-diethyl-4-[[5-nitro-6-(thiazol-2-ylamino)pyrimidin-4-yl]amino]benzenesulfonamide CAS Name: N,N-diethyl-4-[[5-nitro-6-(2-thiazolylamino)-4-pyrimidinyl]amino]benzenesulfonamide IUPAC Name: N,N-diethyl-4-[[5-nitro-6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]amino]benzenesulfonamide Traditional Name: N,N-diethyl-4-[[5-nitro-6-(thiazol-2-ylamino)pyrimidin-4-yl]amino]benzenesulfonamide Formula: C17H19N7O4S2 MolecularWeight: 449.50726

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=NC=CS3)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=NC=CS3)[N+](=O)[O-]

InChI

InChI=1S/C17H19N7O4S2/c1-3-23(4-2)30(27,28)13-7-5-12(6-8-13)21-15-14(24(25)26)16(20-11-19-15)22-17-18-9-10-29-17/h5-11H,3-4H2,1-2H3,(H2,18,19,20,21,22)