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

Systemtic Name: 3-[(3,4-dimethylphenyl)amino]-1-pyrimidin-2-yl-6,7-dihydro-5H-indazol-4-one Openeye Name: 3-(3,4-dimethylanilino)-1-pyrimidin-2-yl-6,7-dihydro-5H-indazol-4-one CAS Name: 3-(3,4-dimethylanilino)-1-(2-pyrimidinyl)-6,7-dihydro-5H-indazol-4-one IUPAC Name: 3-(3,4-dimethylanilino)-1-pyrimidin-2-yl-6,7-dihydro-5H-indazol-4-one Traditional Name: 3-(3,4-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=C(C=C1)NC2=NN(C3=C2C(=O)CCC3)C4=NC=CC=N4)C

Isomeric SMILES

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

InChI

InChI=1S/C19H19N5O/c1-12-7-8-14(11-13(12)2)22-18-17-15(5-3-6-16(17)25)24(23-18)19-20-9-4-10-21-19/h4,7-11H,3,5-6H2,1-2H3,(H,22,23)