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

Systemtic Name: N'-butyl-N-[4-[(6-methoxycarbonyl-5-methyl-thieno[2,3-d]pyrimidin-4-yl)amino]phenyl]sulfonyl-carbamimidate Openeye Name: N'-butyl-N-[4-[(6-methoxycarbonyl-5-methyl-thieno[2,3-d]pyrimidin-4-yl)amino]phenyl]sulfonyl-carbamimidate CAS Name: N'-butyl-N-[4-[(6-methoxycarbonyl-5-methyl-4-thieno[2,3-d]pyrimidinyl)amino]phenyl]sulfonylcarbamimidate IUPAC Name: N'-butyl-N-[4-[(6-methoxycarbonyl-5-methylthieno[2,3-d]pyrimidin-4-yl)amino]phenyl]sulfonylcarbamimidate Traditional Name: N'-butyl-N-[4-[(6-carbomethoxy-5-methyl-thieno[2,3-d]pyrimidin-4-yl)amino]phenyl]sulfonyl-carbamimidate Formula: C20H22N5O5S2- MolecularWeight: 476.54918

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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)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C20H23N5O5S2/c1-4-5-10-21-20(27)25-32(28,29)14-8-6-13(7-9-14)24-17-15-12(2)16(19(26)30-3)31-18(15)23-11-22-17/h6-9,11H,4-5,10H2,1-3H3,(H2,21,25,27)(H,22,23,24)/p-1