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

Systemtic Name: N'-butyl-N-[4-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]phenyl]sulfonyl-carbamimidate Openeye Name: N'-butyl-N-[4-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]phenyl]sulfonyl-carbamimidate CAS Name: N'-butyl-N-[4-[(5-phenyl-4-thieno[2,3-d]pyrimidinyl)amino]phenyl]sulfonylcarbamimidate IUPAC Name: N'-butyl-N-[4-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]phenyl]sulfonylcarbamimidate Traditional Name: N'-butyl-N-[4-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]phenyl]sulfonyl-carbamimidate Formula: C23H22N5O3S2- MolecularWeight: 480.58248

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN=C(NS(=O)(=O)C1=CC=C(C=C1)NC2=C3C(=CSC3=NC=N2)C4=CC=CC=C4)[O-]

Isomeric SMILES

CCCCN=C(NS(=O)(=O)C1=CC=C(C=C1)NC2=C3C(=CSC3=NC=N2)C4=CC=CC=C4)[O-]

InChI

InChI=1S/C23H23N5O3S2/c1-2-3-13-24-23(29)28-33(30,31)18-11-9-17(10-12-18)27-21-20-19(16-7-5-4-6-8-16)14-32-22(20)26-15-25-21/h4-12,14-15H,2-3,13H2,1H3,(H2,24,28,29)(H,25,26,27)/p-1