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

Systemtic Name: 3-[(2,3-dimethylphenyl)amino]-1-(4,6-dimethylpyrimidin-2-yl)-6,7-dihydro-5H-indazol-4-one Openeye Name: 3-(2,3-dimethylanilino)-1-(4,6-dimethylpyrimidin-2-yl)-6,7-dihydro-5H-indazol-4-one CAS Name: 3-(2,3-dimethylanilino)-1-(4,6-dimethyl-2-pyrimidinyl)-6,7-dihydro-5H-indazol-4-one IUPAC Name: 3-(2,3-dimethylanilino)-1-(4,6-dimethylpyrimidin-2-yl)-6,7-dihydro-5H-indazol-4-one Traditional Name: 3-(2,3-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=C(C(=CC=C1)NC2=NN(C3=C2C(=O)CCC3)C4=NC(=CC(=N4)C)C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H23N5O/c1-12-7-5-8-16(15(12)4)24-20-19-17(9-6-10-18(19)27)26(25-20)21-22-13(2)11-14(3)23-21/h5,7-8,11H,6,9-10H2,1-4H3,(H,24,25)