3-[(2,4-dimethylphenyl)amino]-6,6-dimethyl-1-pyrimidin-2-yl-5,7-dihydroindazol-4-one

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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