N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide

Systemtic Name: N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide Openeye Name: N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-4-oxo-3-propyl-phthalazine-1-carboxamide CAS Name: N-[4-[(4,6-dimethyl-2-pyrimidinyl)thio]phenyl]-4-oxo-3-propyl-1-phthalazinecarboxamide IUPAC Name: N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-4-oxo-3-propylphthalazine-1-carboxamide Traditional Name: N-[4-[(4,6-dimethylpyrimidin-2-yl)thio]phenyl]-4-keto-3-propyl-phthalazine-1-carboxamide Formula: C24H23N5O2S MolecularWeight: 445.53672

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=C(C=C3)SC4=NC(=CC(=N4)C)C

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=C(C=C3)SC4=NC(=CC(=N4)C)C

InChI

InChI=1S/C24H23N5O2S/c1-4-13-29-23(31)20-8-6-5-7-19(20)21(28-29)22(30)27-17-9-11-18(12-10-17)32-24-25-15(2)14-16(3)26-24/h5-12,14H,4,13H2,1-3H3,(H,27,30)