[4-[(6-methyl-2-methylsulfanyl-pyrimidin-4-yl)amino]phenyl] (E)-3-(furan-2-yl)prop-2-enoate

Systemtic Name: [4-[(6-methyl-2-methylsulfanyl-pyrimidin-4-yl)amino]phenyl] (E)-3-(furan-2-yl)prop-2-enoate Openeye Name: [4-[(6-methyl-2-methylsulfanyl-pyrimidin-4-yl)amino]phenyl] (E)-3-(2-furyl)prop-2-enoate CAS Name: (E)-3-(2-furanyl)-2-propenoic acid [4-[[6-methyl-2-(methylthio)-4-pyrimidinyl]amino]phenyl] ester IUPAC Name: [4-[(6-methyl-2-methylsulfanylpyrimidin-4-yl)amino]phenyl] (E)-3-(furan-2-yl)prop-2-enoate Traditional Name: (E)-3-(2-furyl)acrylic acid [4-[[6-methyl-2-(methylthio)pyrimidin-4-yl]amino]phenyl] ester Formula: C19H17N3O3S MolecularWeight: 367.42158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC)NC2=CC=C(C=C2)OC(=O)C=CC3=CC=CO3

Isomeric SMILES

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

InChI

InChI=1S/C19H17N3O3S/c1-13-12-17(22-19(20-13)26-2)21-14-5-7-16(8-6-14)25-18(23)10-9-15-4-3-11-24-15/h3-12H,1-2H3,(H,20,21,22)/b10-9+