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

Systemtic Name: 3-[(2,3-dimethylphenyl)amino]-1-pyrimidin-2-yl-6,7-dihydro-5H-indazol-4-one Openeye Name: 3-(2,3-dimethylanilino)-1-pyrimidin-2-yl-6,7-dihydro-5H-indazol-4-one CAS Name: 3-(2,3-dimethylanilino)-1-(2-pyrimidinyl)-6,7-dihydro-5H-indazol-4-one IUPAC Name: 3-(2,3-dimethylanilino)-1-pyrimidin-2-yl-6,7-dihydro-5H-indazol-4-one Traditional Name: 3-(2,3-dimethylanilino)-1-(2-pyrimidyl)-6,7-dihydro-5H-indazol-4-one Formula: C19H19N5O MolecularWeight: 333.38706

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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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N5O/c1-12-6-3-7-14(13(12)2)22-18-17-15(8-4-9-16(17)25)24(23-18)19-20-10-5-11-21-19/h3,5-7,10-11H,4,8-9H2,1-2H3,(H,22,23)