3-[[4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-3-nitro-phenyl]sulfonylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[[4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-3-nitro-phenyl]sulfonylamino]propyl-dimethyl-azanium Openeye Name: 3-[[4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-3-nitro-phenyl]sulfonylamino]propyl-dimethyl-ammonium CAS Name: 3-[[4-[(5,6-dimethyl-4-thieno[2,3-d]pyrimidinyl)thio]-3-nitrophenyl]sulfonylamino]propyl-dimethylammonium IUPAC Name: 3-[[4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-3-nitrophenyl]sulfonylamino]propyl-dimethylazanium Traditional Name: 3-[[4-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)thio]-3-nitro-phenyl]sulfonylamino]propyl-dimethyl-ammonium Formula: C19H24N5O4S3+ MolecularWeight: 482.61996

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=NC=N2)SC3=C(C=C(C=C3)S(=O)(=O)NCCC[NH+](C)C)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(SC2=C1C(=NC=N2)SC3=C(C=C(C=C3)S(=O)(=O)NCCC[NH+](C)C)[N+](=O)[O-])C

InChI

InChI=1S/C19H23N5O4S3/c1-12-13(2)29-18-17(12)19(21-11-20-18)30-16-7-6-14(10-15(16)24(25)26)31(27,28)22-8-5-9-23(3)4/h6-7,10-11,22H,5,8-9H2,1-4H3/p+1