3-chloranyl-4-methyl-5-nitro-N-[2-(thieno[2,3-d]pyrimidin-4-ylamino)ethyl]benzenesulfonamide

Systemtic Name: 3-chloranyl-4-methyl-5-nitro-N-[2-(thieno[2,3-d]pyrimidin-4-ylamino)ethyl]benzenesulfonamide Openeye Name: 3-chloro-4-methyl-5-nitro-N-[2-(thieno[2,3-d]pyrimidin-4-ylamino)ethyl]benzenesulfonamide CAS Name: 3-chloro-4-methyl-5-nitro-N-[2-(4-thieno[2,3-d]pyrimidinylamino)ethyl]benzenesulfonamide IUPAC Name: 3-chloro-4-methyl-5-nitro-N-[2-(thieno[2,3-d]pyrimidin-4-ylamino)ethyl]benzenesulfonamide Traditional Name: 3-chloro-4-methyl-5-nitro-N-[2-(thieno[2,3-d]pyrimidin-4-ylamino)ethyl]benzenesulfonamide Formula: C15H14ClN5O4S2 MolecularWeight: 427.88576

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)NCCNC2=C3C=CSC3=NC=N2)Cl

Isomeric SMILES

CC1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)NCCNC2=C3C=CSC3=NC=N2)Cl

InChI

InChI=1S/C15H14ClN5O4S2/c1-9-12(16)6-10(7-13(9)21(22)23)27(24,25)20-4-3-17-14-11-2-5-26-15(11)19-8-18-14/h2,5-8,20H,3-4H2,1H3,(H,17,18,19)