N-(4-methylphenyl)-4-[1-(3-phenylmethoxyphenyl)pyrazol-4-yl]pyrimidin-2-amine

Systemtic Name: N-(4-methylphenyl)-4-[1-(3-phenylmethoxyphenyl)pyrazol-4-yl]pyrimidin-2-amine Openeye Name: 4-[1-(3-benzyloxyphenyl)pyrazol-4-yl]-N-(p-tolyl)pyrimidin-2-amine CAS Name: N-(4-methylphenyl)-4-[1-(3-phenylmethoxyphenyl)-4-pyrazolyl]-2-pyrimidinamine IUPAC Name: N-(4-methylphenyl)-4-[1-(3-phenylmethoxyphenyl)pyrazol-4-yl]pyrimidin-2-amine Traditional Name: [4-[1-(3-benzoxyphenyl)pyrazol-4-yl]pyrimidin-2-yl]-(p-tolyl)amine Formula: C27H23N5O MolecularWeight: 433.50442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NC=CC(=N2)C3=CN(N=C3)C4=CC(=CC=C4)OCC5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NC=CC(=N2)C3=CN(N=C3)C4=CC(=CC=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C27H23N5O/c1-20-10-12-23(13-11-20)30-27-28-15-14-26(31-27)22-17-29-32(18-22)24-8-5-9-25(16-24)33-19-21-6-3-2-4-7-21/h2-18H,19H2,1H3,(H,28,30,31)