4-tert-butyl-N-[3-[5-[[2-(2-dimethylaminoethyloxy)pyrimidin-4-yl]amino]-1-methyl-6-oxidanylidene-pyridazin-3-yl]-2-methyl-phenyl]benzamide

Systemtic Name: 4-tert-butyl-N-[3-[5-[[2-(2-dimethylaminoethyloxy)pyrimidin-4-yl]amino]-1-methyl-6-oxidanylidene-pyridazin-3-yl]-2-methyl-phenyl]benzamide Openeye Name: 4-tert-butyl-N-[3-[5-[[2-(2-dimethylaminoethyloxy)pyrimidin-4-yl]amino]-1-methyl-6-oxo-pyridazin-3-yl]-2-methyl-phenyl]benzamide CAS Name: 4-tert-butyl-N-[3-[5-[[2-(2-dimethylaminoethyloxy)-4-pyrimidinyl]amino]-1-methyl-6-oxo-3-pyridazinyl]-2-methylphenyl]benzamide IUPAC Name: 4-tert-butyl-N-[3-[5-[[2-(2-dimethylaminoethyloxy)pyrimidin-4-yl]amino]-1-methyl-6-oxopyridazin-3-yl]-2-methylphenyl]benzamide Traditional Name: 4-tert-butyl-N-[3-[5-[[2-(2-dimethylaminoethyloxy)pyrimidin-4-yl]amino]-6-keto-1-methyl-pyridazin-3-yl]-2-methyl-phenyl]benzamide Formula: C31H37N7O3 MolecularWeight: 555.67058

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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=NN(C(=O)C(=C3)NC4=NC(=NC=C4)OCCN(C)C)C

Isomeric SMILES

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

InChI

InChI=1S/C31H37N7O3/c1-20-23(9-8-10-24(20)34-28(39)21-11-13-22(14-12-21)31(2,3)4)25-19-26(29(40)38(7)36-25)33-27-15-16-32-30(35-27)41-18-17-37(5)6/h8-16,19H,17-18H2,1-7H3,(H,34,39)(H,32,33,35)