1-(4,6-dimethylpyrimidin-2-yl)-3-(prop-2-enylamino)-6,7-dihydro-5H-indazol-4-one

Systemtic Name: 1-(4,6-dimethylpyrimidin-2-yl)-3-(prop-2-enylamino)-6,7-dihydro-5H-indazol-4-one Openeye Name: 3-(allylamino)-1-(4,6-dimethylpyrimidin-2-yl)-6,7-dihydro-5H-indazol-4-one CAS Name: 1-(4,6-dimethyl-2-pyrimidinyl)-3-(prop-2-enylamino)-6,7-dihydro-5H-indazol-4-one IUPAC Name: 1-(4,6-dimethylpyrimidin-2-yl)-3-(prop-2-enylamino)-6,7-dihydro-5H-indazol-4-one Traditional Name: 3-(allylamino)-1-(4,6-dimethylpyrimidin-2-yl)-6,7-dihydro-5H-indazol-4-one Formula: C16H19N5O MolecularWeight: 297.35496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2C3=C(C(=O)CCC3)C(=N2)NCC=C)C

Isomeric SMILES

CC1=CC(=NC(=N1)N2C3=C(C(=O)CCC3)C(=N2)NCC=C)C

InChI

InChI=1S/C16H19N5O/c1-4-8-17-15-14-12(6-5-7-13(14)22)21(20-15)16-18-10(2)9-11(3)19-16/h4,9H,1,5-8H2,2-3H3,(H,17,20)