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

Systemtic Name: [4-[(2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] (E)-3-(4-tert-butylphenyl)prop-2-enoate Openeye Name: [4-[(2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] (E)-3-(4-tert-butylphenyl)prop-2-enoate CAS Name: (E)-3-(4-tert-butylphenyl)-2-propenoic acid [4-[[2-(methylthio)-6-phenyl-4-pyrimidinyl]amino]phenyl] ester IUPAC Name: [4-[(2-methylsulfanyl-6-phenylpyrimidin-4-yl)amino]phenyl] (E)-3-(4-tert-butylphenyl)prop-2-enoate Traditional Name: (E)-3-(4-tert-butylphenyl)acrylic acid [4-[[2-(methylthio)-6-phenyl-pyrimidin-4-yl]amino]phenyl] ester Formula: C30H29N3O2S MolecularWeight: 495.63516

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C=CC(=O)OC2=CC=C(C=C2)NC3=NC(=NC(=C3)C4=CC=CC=C4)SC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)/C=C/C(=O)OC2=CC=C(C=C2)NC3=NC(=NC(=C3)C4=CC=CC=C4)SC

InChI

InChI=1S/C30H29N3O2S/c1-30(2,3)23-13-10-21(11-14-23)12-19-28(34)35-25-17-15-24(16-18-25)31-27-20-26(32-29(33-27)36-4)22-8-6-5-7-9-22/h5-20H,1-4H3,(H,31,32,33)/b19-12+