N'-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoyl]-4-oxidanylidene-3-propyl-phthalazine-1-carbohydrazide

Systemtic Name: N'-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoyl]-4-oxidanylidene-3-propyl-phthalazine-1-carbohydrazide Openeye Name: N'-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-4-oxo-3-propyl-phthalazine-1-carbohydrazide CAS Name: N'-[2-[(4,6-dimethyl-2-pyrimidinyl)thio]-1-oxoethyl]-4-oxo-3-propyl-1-phthalazinecarbohydrazide IUPAC Name: N'-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-4-oxo-3-propylphthalazine-1-carbohydrazide Traditional Name: N'-[2-[(4,6-dimethylpyrimidin-2-yl)thio]acetyl]-4-keto-3-propyl-phthalazine-1-carbohydrazide Formula: C20H22N6O3S MolecularWeight: 426.49208

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=O)CSC3=NC(=CC(=N3)C)C

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=O)CSC3=NC(=CC(=N3)C)C

InChI

InChI=1S/C20H22N6O3S/c1-4-9-26-19(29)15-8-6-5-7-14(15)17(25-26)18(28)24-23-16(27)11-30-20-21-12(2)10-13(3)22-20/h5-8,10H,4,9,11H2,1-3H3,(H,23,27)(H,24,28)