N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-4-(pyrimidin-2-ylamino)butanamide

Systemtic Name: N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-4-(pyrimidin-2-ylamino)butanamide Openeye Name: N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-4-(pyrimidin-2-ylamino)butanamide CAS Name: N-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl]-4-(2-pyrimidinylamino)butanamide IUPAC Name: N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-(pyrimidin-2-ylamino)butanamide Traditional Name: N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-4-(2-pyrimidylamino)butyramide Formula: C20H24N6O MolecularWeight: 364.44416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CNC(=O)CCCNC3=NC=CC=N3

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CNC(=O)CCCNC3=NC=CC=N3

InChI

InChI=1S/C20H24N6O/c1-15-18(16(2)26(25-15)17-8-4-3-5-9-17)14-24-19(27)10-6-11-21-20-22-12-7-13-23-20/h3-5,7-9,12-13H,6,10-11,14H2,1-2H3,(H,24,27)(H,21,22,23)