2-[(2-bromanyl-4-methyl-phenyl)-[6-[(4-hydroxyphenyl)amino]pyrimidin-4-yl]amino]ethanenitrile

Systemtic Name: 2-[(2-bromanyl-4-methyl-phenyl)-[6-[(4-hydroxyphenyl)amino]pyrimidin-4-yl]amino]ethanenitrile Openeye Name: 2-(2-bromo-N-[6-(4-hydroxyanilino)pyrimidin-4-yl]-4-methyl-anilino)acetonitrile CAS Name: 2-(2-bromo-N-[6-(4-hydroxyanilino)-4-pyrimidinyl]-4-methylanilino)acetonitrile IUPAC Name: 2-(2-bromo-N-[6-(4-hydroxyanilino)pyrimidin-4-yl]-4-methylanilino)acetonitrile Traditional Name: 2-(2-bromo-N-[6-(4-hydroxyanilino)pyrimidin-4-yl]-4-methyl-anilino)acetonitrile Formula: C19H16BrN5O MolecularWeight: 410.26724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N(CC#N)C2=NC=NC(=C2)NC3=CC=C(C=C3)O)Br

Isomeric SMILES

CC1=CC(=C(C=C1)N(CC#N)C2=NC=NC(=C2)NC3=CC=C(C=C3)O)Br

InChI

InChI=1S/C19H16BrN5O/c1-13-2-7-17(16(20)10-13)25(9-8-21)19-11-18(22-12-23-19)24-14-3-5-15(26)6-4-14/h2-7,10-12,26H,9H2,1H3,(H,22,23,24)