6-[(5-tert-butyl-2-methyl-phenyl)amino]-2-[4-(4-methoxyphenyl)-3,3-dimethyl-piperazin-1-yl]-N-methyl-pyrimidine-4-carboxamide

Systemtic Name: 6-[(5-tert-butyl-2-methyl-phenyl)amino]-2-[4-(4-methoxyphenyl)-3,3-dimethyl-piperazin-1-yl]-N-methyl-pyrimidine-4-carboxamide Openeye Name: 6-(5-tert-butyl-2-methyl-anilino)-2-[4-(4-methoxyphenyl)-3,3-dimethyl-piperazin-1-yl]-N-methyl-pyrimidine-4-carboxamide CAS Name: 6-(5-tert-butyl-2-methylanilino)-2-[4-(4-methoxyphenyl)-3,3-dimethyl-1-piperazinyl]-N-methyl-4-pyrimidinecarboxamide IUPAC Name: 6-(5-tert-butyl-2-methylanilino)-2-[4-(4-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-N-methylpyrimidine-4-carboxamide Traditional Name: 6-(5-tert-butyl-2-methyl-anilino)-2-[4-(4-methoxyphenyl)-3,3-dimethyl-piperazino]-N-methyl-pyrimidine-4-carboxamide Formula: C30H40N6O2 MolecularWeight: 516.6776

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(C)(C)C)NC2=NC(=NC(=C2)C(=O)NC)N3CCN(C(C3)(C)C)C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=C(C=C(C=C1)C(C)(C)C)NC2=NC(=NC(=C2)C(=O)NC)N3CCN(C(C3)(C)C)C4=CC=C(C=C4)OC

InChI

InChI=1S/C30H40N6O2/c1-20-9-10-21(29(2,3)4)17-24(20)32-26-18-25(27(37)31-7)33-28(34-26)35-15-16-36(30(5,6)19-35)22-11-13-23(38-8)14-12-22/h9-14,17-18H,15-16,19H2,1-8H3,(H,31,37)(H,32,33,34)