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

Systemtic Name: N'-butyl-N-[4-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]phenyl]sulfonyl-carbamimidate Openeye Name: N'-butyl-N-[4-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]phenyl]sulfonyl-carbamimidate CAS Name: N'-butyl-N-[4-[(6-ethyl-4-thieno[2,3-d]pyrimidinyl)amino]phenyl]sulfonylcarbamimidate IUPAC Name: N'-butyl-N-[4-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]phenyl]sulfonylcarbamimidate Traditional Name: N'-butyl-N-[4-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]phenyl]sulfonyl-carbamimidate Formula: C19H22N5O3S2- MolecularWeight: 432.53968

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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)CC)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C19H23N5O3S2/c1-3-5-10-20-19(25)24-29(26,27)15-8-6-13(7-9-15)23-17-16-11-14(4-2)28-18(16)22-12-21-17/h6-9,11-12H,3-5,10H2,1-2H3,(H2,20,24,25)(H,21,22,23)/p-1