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

Systemtic Name: N'-butyl-N-[4-[(5-methyl-6-propan-2-yloxycarbonyl-thieno[2,3-d]pyrimidin-4-yl)amino]phenyl]sulfonyl-carbamimidate Openeye Name: N'-butyl-N-[4-[(6-isopropoxycarbonyl-5-methyl-thieno[2,3-d]pyrimidin-4-yl)amino]phenyl]sulfonyl-carbamimidate CAS Name: N'-butyl-N-[4-[[5-methyl-6-[oxo(propan-2-yloxy)methyl]-4-thieno[2,3-d]pyrimidinyl]amino]phenyl]sulfonylcarbamimidate IUPAC Name: N'-butyl-N-[4-[(5-methyl-6-propan-2-yloxycarbonylthieno[2,3-d]pyrimidin-4-yl)amino]phenyl]sulfonylcarbamimidate Traditional Name: N'-butyl-N-[4-[(6-isopropoxycarbonyl-5-methyl-thieno[2,3-d]pyrimidin-4-yl)amino]phenyl]sulfonyl-carbamimidate Formula: C22H26N5O5S2- MolecularWeight: 504.60234

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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)OC(C)C)C)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C22H27N5O5S2/c1-5-6-11-23-22(29)27-34(30,31)16-9-7-15(8-10-16)26-19-17-14(4)18(21(28)32-13(2)3)33-20(17)25-12-24-19/h7-10,12-13H,5-6,11H2,1-4H3,(H2,23,27,29)(H,24,25,26)/p-1