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

Systemtic Name: 3-[[3,5-bis(chloranyl)phenyl]amino]-6,6-dimethyl-1-pyrimidin-2-yl-5,7-dihydroindazol-4-one Openeye Name: 3-(3,5-dichloroanilino)-6,6-dimethyl-1-pyrimidin-2-yl-5,7-dihydroindazol-4-one CAS Name: 3-(3,5-dichloroanilino)-6,6-dimethyl-1-(2-pyrimidinyl)-5,7-dihydroindazol-4-one IUPAC Name: 3-(3,5-dichloroanilino)-6,6-dimethyl-1-pyrimidin-2-yl-5,7-dihydroindazol-4-one Traditional Name: 3-(3,5-dichloroanilino)-6,6-dimethyl-1-(2-pyrimidyl)-5,7-dihydroindazol-4-one Formula: C19H17Cl2N5O MolecularWeight: 402.27718

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(=O)C1)C(=NN2C3=NC=CC=N3)NC4=CC(=CC(=C4)Cl)Cl)C

Isomeric SMILES

CC1(CC2=C(C(=O)C1)C(=NN2C3=NC=CC=N3)NC4=CC(=CC(=C4)Cl)Cl)C

InChI

InChI=1S/C19H17Cl2N5O/c1-19(2)9-14-16(15(27)10-19)17(24-13-7-11(20)6-12(21)8-13)25-26(14)18-22-4-3-5-23-18/h3-8H,9-10H2,1-2H3,(H,24,25)