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

Systemtic Name: 3-[(2-chloranyl-4-methyl-phenyl)amino]-6,6-dimethyl-1-pyrimidin-2-yl-5,7-dihydroindazol-4-one Openeye Name: 3-(2-chloro-4-methyl-anilino)-6,6-dimethyl-1-pyrimidin-2-yl-5,7-dihydroindazol-4-one CAS Name: 3-(2-chloro-4-methylanilino)-6,6-dimethyl-1-(2-pyrimidinyl)-5,7-dihydroindazol-4-one IUPAC Name: 3-(2-chloro-4-methylanilino)-6,6-dimethyl-1-pyrimidin-2-yl-5,7-dihydroindazol-4-one Traditional Name: 3-(2-chloro-4-methyl-anilino)-6,6-dimethyl-1-(2-pyrimidyl)-5,7-dihydroindazol-4-one Formula: C20H20ClN5O MolecularWeight: 381.8587

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H20ClN5O/c1-12-5-6-14(13(21)9-12)24-18-17-15(10-20(2,3)11-16(17)27)26(25-18)19-22-7-4-8-23-19/h4-9H,10-11H2,1-3H3,(H,24,25)