[4-[(6-methyl-2-methylsulfanyl-pyrimidin-4-yl)amino]phenyl] thiophene-2-sulfonate

Systemtic Name: [4-[(6-methyl-2-methylsulfanyl-pyrimidin-4-yl)amino]phenyl] thiophene-2-sulfonate Openeye Name: [4-[(6-methyl-2-methylsulfanyl-pyrimidin-4-yl)amino]phenyl] thiophene-2-sulfonate CAS Name: 2-thiophenesulfonic acid [4-[[6-methyl-2-(methylthio)-4-pyrimidinyl]amino]phenyl] ester IUPAC Name: [4-[(6-methyl-2-methylsulfanylpyrimidin-4-yl)amino]phenyl] thiophene-2-sulfonate Traditional Name: thiophene-2-sulfonic acid [4-[[6-methyl-2-(methylthio)pyrimidin-4-yl]amino]phenyl] ester Formula: C16H15N3O3S3 MolecularWeight: 393.5036

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC)NC2=CC=C(C=C2)OS(=O)(=O)C3=CC=CS3

Isomeric SMILES

CC1=CC(=NC(=N1)SC)NC2=CC=C(C=C2)OS(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C16H15N3O3S3/c1-11-10-14(19-16(17-11)23-2)18-12-5-7-13(8-6-12)22-25(20,21)15-4-3-9-24-15/h3-10H,1-2H3,(H,17,18,19)