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

Systemtic Name: 6,6-dimethyl-3-[(3-methylphenyl)amino]-1-pyrimidin-2-yl-5,7-dihydroindazol-4-one Openeye Name: 6,6-dimethyl-3-(3-methylanilino)-1-pyrimidin-2-yl-5,7-dihydroindazol-4-one CAS Name: 6,6-dimethyl-3-(3-methylanilino)-1-(2-pyrimidinyl)-5,7-dihydroindazol-4-one IUPAC Name: 6,6-dimethyl-3-(3-methylanilino)-1-pyrimidin-2-yl-5,7-dihydroindazol-4-one Traditional Name: 6,6-dimethyl-3-(m-toluidino)-1-(2-pyrimidyl)-5,7-dihydroindazol-4-one Formula: C20H21N5O MolecularWeight: 347.41364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N5O/c1-13-6-4-7-14(10-13)23-18-17-15(11-20(2,3)12-16(17)26)25(24-18)19-21-8-5-9-22-19/h4-10H,11-12H2,1-3H3,(H,23,24)