4-tert-butyl-N-[2-methyl-3-[2-[[4-(prop-2-enylcarbamoyl)phenyl]amino]pyrimidin-4-yl]phenyl]benzamide

Systemtic Name: 4-tert-butyl-N-[2-methyl-3-[2-[[4-(prop-2-enylcarbamoyl)phenyl]amino]pyrimidin-4-yl]phenyl]benzamide Openeye Name: N-[3-[2-[4-(allylcarbamoyl)anilino]pyrimidin-4-yl]-2-methyl-phenyl]-4-tert-butyl-benzamide CAS Name: 4-tert-butyl-N-[2-methyl-3-[2-[4-[oxo-(prop-2-enylamino)methyl]anilino]-4-pyrimidinyl]phenyl]benzamide IUPAC Name: 4-tert-butyl-N-[2-methyl-3-[2-[4-(prop-2-enylcarbamoyl)anilino]pyrimidin-4-yl]phenyl]benzamide Traditional Name: N-[3-[2-[4-(allylcarbamoyl)anilino]pyrimidin-4-yl]-2-methyl-phenyl]-4-tert-butyl-benzamide Formula: C32H33N5O2 MolecularWeight: 519.63672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=O)C2=CC=C(C=C2)C(C)(C)C)C3=NC(=NC=C3)NC4=CC=C(C=C4)C(=O)NCC=C

Isomeric SMILES

CC1=C(C=CC=C1NC(=O)C2=CC=C(C=C2)C(C)(C)C)C3=NC(=NC=C3)NC4=CC=C(C=C4)C(=O)NCC=C

InChI

InChI=1S/C32H33N5O2/c1-6-19-33-29(38)22-12-16-25(17-13-22)35-31-34-20-18-28(37-31)26-8-7-9-27(21(26)2)36-30(39)23-10-14-24(15-11-23)32(3,4)5/h6-18,20H,1,19H2,2-5H3,(H,33,38)(H,36,39)(H,34,35,37)