3-bromanyl-N-[4-methyl-3-[(4-pyrimidin-5-ylpyrimidin-2-yl)amino]phenyl]-4-(piperazin-1-ylmethyl)benzamide

Systemtic Name: 3-bromanyl-N-[4-methyl-3-[(4-pyrimidin-5-ylpyrimidin-2-yl)amino]phenyl]-4-(piperazin-1-ylmethyl)benzamide Openeye Name: 3-bromo-N-[4-methyl-3-[(4-pyrimidin-5-ylpyrimidin-2-yl)amino]phenyl]-4-(piperazin-1-ylmethyl)benzamide CAS Name: 3-bromo-N-[4-methyl-3-[[4-(5-pyrimidinyl)-2-pyrimidinyl]amino]phenyl]-4-(1-piperazinylmethyl)benzamide IUPAC Name: 3-bromo-N-[4-methyl-3-[(4-pyrimidin-5-ylpyrimidin-2-yl)amino]phenyl]-4-(piperazin-1-ylmethyl)benzamide Traditional Name: 3-bromo-N-[4-methyl-3-[[4-(5-pyrimidyl)pyrimidin-2-yl]amino]phenyl]-4-(piperazinomethyl)benzamide Formula: C27H27BrN8O MolecularWeight: 559.46028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)CN3CCNCC3)Br)NC4=NC=CC(=N4)C5=CN=CN=C5

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)CN3CCNCC3)Br)NC4=NC=CC(=N4)C5=CN=CN=C5

InChI

InChI=1S/C27H27BrN8O/c1-18-2-5-22(13-25(18)35-27-32-7-6-24(34-27)21-14-30-17-31-15-21)33-26(37)19-3-4-20(23(28)12-19)16-36-10-8-29-9-11-36/h2-7,12-15,17,29H,8-11,16H2,1H3,(H,33,37)(H,32,34,35)