N-[3-[[1-(6-azanylpyrimidin-4-yl)benzimidazol-2-yl]amino]-4-methyl-phenyl]-5-tert-butyl-2-methyl-pyrazole-3-carboxamide

Systemtic Name: N-[3-[[1-(6-azanylpyrimidin-4-yl)benzimidazol-2-yl]amino]-4-methyl-phenyl]-5-tert-butyl-2-methyl-pyrazole-3-carboxamide Openeye Name: N-[3-[[1-(6-aminopyrimidin-4-yl)benzimidazol-2-yl]amino]-4-methyl-phenyl]-5-tert-butyl-2-methyl-pyrazole-3-carboxamide CAS Name: N-[3-[[1-(6-amino-4-pyrimidinyl)-2-benzimidazolyl]amino]-4-methylphenyl]-5-tert-butyl-2-methyl-3-pyrazolecarboxamide IUPAC Name: N-[3-[[1-(6-aminopyrimidin-4-yl)benzimidazol-2-yl]amino]-4-methylphenyl]-5-tert-butyl-2-methylpyrazole-3-carboxamide Traditional Name: N-[3-[[1-(6-aminopyrimidin-4-yl)benzimidazol-2-yl]amino]-4-methyl-phenyl]-5-tert-butyl-2-methyl-pyrazole-3-carboxamide Formula: C27H29N9O MolecularWeight: 495.57886

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC(=NN2C)C(C)(C)C)NC3=NC4=CC=CC=C4N3C5=CC(=NC=N5)N

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC(=NN2C)C(C)(C)C)NC3=NC4=CC=CC=C4N3C5=CC(=NC=N5)N

InChI

InChI=1S/C27H29N9O/c1-16-10-11-17(31-25(37)21-13-22(27(2,3)4)34-35(21)5)12-19(16)33-26-32-18-8-6-7-9-20(18)36(26)24-14-23(28)29-15-30-24/h6-15H,1-5H3,(H,31,37)(H,32,33)(H2,28,29,30)