4-methyl-3-nitro-N-[4-(thieno[2,3-d]pyrimidin-4-ylamino)phenyl]benzenesulfonamide

Systemtic Name: 4-methyl-3-nitro-N-[4-(thieno[2,3-d]pyrimidin-4-ylamino)phenyl]benzenesulfonamide Openeye Name: 4-methyl-3-nitro-N-[4-(thieno[2,3-d]pyrimidin-4-ylamino)phenyl]benzenesulfonamide CAS Name: 4-methyl-3-nitro-N-[4-(4-thieno[2,3-d]pyrimidinylamino)phenyl]benzenesulfonamide IUPAC Name: 4-methyl-3-nitro-N-[4-(thieno[2,3-d]pyrimidin-4-ylamino)phenyl]benzenesulfonamide Traditional Name: 4-methyl-3-nitro-N-[4-(thieno[2,3-d]pyrimidin-4-ylamino)phenyl]benzenesulfonamide Formula: C19H15N5O4S2 MolecularWeight: 441.4835

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)NC3=C4C=CSC4=NC=N3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)NC3=C4C=CSC4=NC=N3)[N+](=O)[O-]

InChI

InChI=1S/C19H15N5O4S2/c1-12-2-7-15(10-17(12)24(25)26)30(27,28)23-14-5-3-13(4-6-14)22-18-16-8-9-29-19(16)21-11-20-18/h2-11,23H,1H3,(H,20,21,22)