[4-[(6-methyl-2-methylsulfanyl-pyrimidin-4-yl)amino]phenyl] furan-2-carboxylate

Systemtic Name: [4-[(6-methyl-2-methylsulfanyl-pyrimidin-4-yl)amino]phenyl] furan-2-carboxylate Openeye Name: [4-[(6-methyl-2-methylsulfanyl-pyrimidin-4-yl)amino]phenyl] furan-2-carboxylate CAS Name: 2-furancarboxylic acid [4-[[6-methyl-2-(methylthio)-4-pyrimidinyl]amino]phenyl] ester IUPAC Name: [4-[(6-methyl-2-methylsulfanylpyrimidin-4-yl)amino]phenyl] furan-2-carboxylate Traditional Name: furan-2-carboxylic acid [4-[[6-methyl-2-(methylthio)pyrimidin-4-yl]amino]phenyl] ester Formula: C17H15N3O3S MolecularWeight: 341.3843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC)NC2=CC=C(C=C2)OC(=O)C3=CC=CO3

Isomeric SMILES

CC1=CC(=NC(=N1)SC)NC2=CC=C(C=C2)OC(=O)C3=CC=CO3

InChI

InChI=1S/C17H15N3O3S/c1-11-10-15(20-17(18-11)24-2)19-12-5-7-13(8-6-12)23-16(21)14-4-3-9-22-14/h3-10H,1-2H3,(H,18,19,20)