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

Systemtic Name: N-(4-ethoxy-2,5-dimethyl-phenyl)-2-[4-(4-methoxyphenyl)-3,3-dimethyl-piperazin-1-yl]pyrimidin-4-amine Openeye Name: N-(4-ethoxy-2,5-dimethyl-phenyl)-2-[4-(4-methoxyphenyl)-3,3-dimethyl-piperazin-1-yl]pyrimidin-4-amine CAS Name: N-(4-ethoxy-2,5-dimethylphenyl)-2-[4-(4-methoxyphenyl)-3,3-dimethyl-1-piperazinyl]-4-pyrimidinamine IUPAC Name: N-(4-ethoxy-2,5-dimethylphenyl)-2-[4-(4-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]pyrimidin-4-amine Traditional Name: (4-ethoxy-2,5-dimethyl-phenyl)-[2-[4-(4-methoxyphenyl)-3,3-dimethyl-piperazino]pyrimidin-4-yl]amine Formula: C27H35N5O2 MolecularWeight: 461.5991

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H35N5O2/c1-7-34-24-17-19(2)23(16-20(24)3)29-25-12-13-28-26(30-25)31-14-15-32(27(4,5)18-31)21-8-10-22(33-6)11-9-21/h8-13,16-17H,7,14-15,18H2,1-6H3,(H,28,29,30)