N'-butyl-N-[4-[(6-ethoxycarbonyl-5-methyl-thieno[2,3-d]pyrimidin-4-yl)amino]phenyl]sulfonyl-carbamimidate

Systemtic Name: N'-butyl-N-[4-[(6-ethoxycarbonyl-5-methyl-thieno[2,3-d]pyrimidin-4-yl)amino]phenyl]sulfonyl-carbamimidate Openeye Name: N'-butyl-N-[4-[(6-ethoxycarbonyl-5-methyl-thieno[2,3-d]pyrimidin-4-yl)amino]phenyl]sulfonyl-carbamimidate CAS Name: N'-butyl-N-[4-[(6-ethoxycarbonyl-5-methyl-4-thieno[2,3-d]pyrimidinyl)amino]phenyl]sulfonylcarbamimidate IUPAC Name: N'-butyl-N-[4-[(6-ethoxycarbonyl-5-methylthieno[2,3-d]pyrimidin-4-yl)amino]phenyl]sulfonylcarbamimidate Traditional Name: N'-butyl-N-[4-[(6-carbethoxy-5-methyl-thieno[2,3-d]pyrimidin-4-yl)amino]phenyl]sulfonyl-carbamimidate Formula: C21H24N5O5S2- MolecularWeight: 490.57576

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN=C(NS(=O)(=O)C1=CC=C(C=C1)NC2=C3C(=C(SC3=NC=N2)C(=O)OCC)C)[O-]

Isomeric SMILES

CCCCN=C(NS(=O)(=O)C1=CC=C(C=C1)NC2=C3C(=C(SC3=NC=N2)C(=O)OCC)C)[O-]

InChI

InChI=1S/C21H25N5O5S2/c1-4-6-11-22-21(28)26-33(29,30)15-9-7-14(8-10-15)25-18-16-13(3)17(20(27)31-5-2)32-19(16)24-12-23-18/h7-10,12H,4-6,11H2,1-3H3,(H2,22,26,28)(H,23,24,25)/p-1