4-[4-[[2-(imidazol-1-ylmethyl)-2-(4-methylphenyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-N-phenethyl-pyrimidin-2-amine

Systemtic Name: 4-[4-[[2-(imidazol-1-ylmethyl)-2-(4-methylphenyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-N-phenethyl-pyrimidin-2-amine Openeye Name: 4-[4-[[2-(imidazol-1-ylmethyl)-2-(p-tolyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-N-phenethyl-pyrimidin-2-amine CAS Name: 4-[4-[[2-(1-imidazolylmethyl)-2-(4-methylphenyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-N-phenethyl-2-pyrimidinamine IUPAC Name: 4-[4-[[2-(imidazol-1-ylmethyl)-2-(4-methylphenyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-N-phenethylpyrimidin-2-amine Traditional Name: [4-[4-[[2-(imidazol-1-ylmethyl)-2-(p-tolyl)-1,3-dioxolan-4-yl]methoxy]phenyl]pyrimidin-2-yl]-phenethyl-amine Formula: C33H33N5O3 MolecularWeight: 547.64682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2(OCC(O2)COC3=CC=C(C=C3)C4=NC(=NC=C4)NCCC5=CC=CC=C5)CN6C=CN=C6

Isomeric SMILES

CC1=CC=C(C=C1)C2(OCC(O2)COC3=CC=C(C=C3)C4=NC(=NC=C4)NCCC5=CC=CC=C5)CN6C=CN=C6

InChI

InChI=1S/C33H33N5O3/c1-25-7-11-28(12-8-25)33(23-38-20-19-34-24-38)40-22-30(41-33)21-39-29-13-9-27(10-14-29)31-16-18-36-32(37-31)35-17-15-26-5-3-2-4-6-26/h2-14,16,18-20,24,30H,15,17,21-23H2,1H3,(H,35,36,37)