3-[(3,5-dimethylphenyl)amino]-1-(4,6-dimethylpyrimidin-2-yl)-6,7-dihydro-5H-indazol-4-one

Systemtic Name: 3-[(3,5-dimethylphenyl)amino]-1-(4,6-dimethylpyrimidin-2-yl)-6,7-dihydro-5H-indazol-4-one Openeye Name: 3-(3,5-dimethylanilino)-1-(4,6-dimethylpyrimidin-2-yl)-6,7-dihydro-5H-indazol-4-one CAS Name: 3-(3,5-dimethylanilino)-1-(4,6-dimethyl-2-pyrimidinyl)-6,7-dihydro-5H-indazol-4-one IUPAC Name: 3-(3,5-dimethylanilino)-1-(4,6-dimethylpyrimidin-2-yl)-6,7-dihydro-5H-indazol-4-one Traditional Name: 3-(3,5-dimethylanilino)-1-(4,6-dimethylpyrimidin-2-yl)-6,7-dihydro-5H-indazol-4-one Formula: C21H23N5O MolecularWeight: 361.44022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC2=NN(C3=C2C(=O)CCC3)C4=NC(=CC(=N4)C)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC2=NN(C3=C2C(=O)CCC3)C4=NC(=CC(=N4)C)C)C

InChI

InChI=1S/C21H23N5O/c1-12-8-13(2)10-16(9-12)24-20-19-17(6-5-7-18(19)27)26(25-20)21-22-14(3)11-15(4)23-21/h8-11H,5-7H2,1-4H3,(H,24,25)