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

Systemtic Name: 3-[(3-methylphenyl)amino]-1-pyrimidin-2-yl-6,7-dihydro-5H-indazol-4-one Openeye Name: 3-(3-methylanilino)-1-pyrimidin-2-yl-6,7-dihydro-5H-indazol-4-one CAS Name: 3-(3-methylanilino)-1-(2-pyrimidinyl)-6,7-dihydro-5H-indazol-4-one IUPAC Name: 3-(3-methylanilino)-1-pyrimidin-2-yl-6,7-dihydro-5H-indazol-4-one Traditional Name: 3-(m-toluidino)-1-(2-pyrimidyl)-6,7-dihydro-5H-indazol-4-one Formula: C18H17N5O MolecularWeight: 319.36048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N5O/c1-12-5-2-6-13(11-12)21-17-16-14(7-3-8-15(16)24)23(22-17)18-19-9-4-10-20-18/h2,4-6,9-11H,3,7-8H2,1H3,(H,21,22)