N-(4-ethoxy-2-methyl-5-propan-2-yl-phenyl)-2-[4-(4-methoxyphenyl)-3,3-dimethyl-piperazin-1-yl]pyrimidin-4-amine

Systemtic Name: N-(4-ethoxy-2-methyl-5-propan-2-yl-phenyl)-2-[4-(4-methoxyphenyl)-3,3-dimethyl-piperazin-1-yl]pyrimidin-4-amine Openeye Name: N-(4-ethoxy-5-isopropyl-2-methyl-phenyl)-2-[4-(4-methoxyphenyl)-3,3-dimethyl-piperazin-1-yl]pyrimidin-4-amine CAS Name: N-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)-2-[4-(4-methoxyphenyl)-3,3-dimethyl-1-piperazinyl]-4-pyrimidinamine IUPAC Name: N-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)-2-[4-(4-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]pyrimidin-4-amine Traditional Name: (4-ethoxy-5-isopropyl-2-methyl-phenyl)-[2-[4-(4-methoxyphenyl)-3,3-dimethyl-piperazino]pyrimidin-4-yl]amine Formula: C29H39N5O2 MolecularWeight: 489.65226

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1C(C)C)NC2=NC(=NC=C2)N3CCN(C(C3)(C)C)C4=CC=C(C=C4)OC)C

Isomeric SMILES

CCOC1=CC(=C(C=C1C(C)C)NC2=NC(=NC=C2)N3CCN(C(C3)(C)C)C4=CC=C(C=C4)OC)C

InChI

InChI=1S/C29H39N5O2/c1-8-36-26-17-21(4)25(18-24(26)20(2)3)31-27-13-14-30-28(32-27)33-15-16-34(29(5,6)19-33)22-9-11-23(35-7)12-10-22/h9-14,17-18,20H,8,15-16,19H2,1-7H3,(H,30,31,32)