4-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphthalazin-1-yl]-N,N-diethyl-benzamide

Systemtic Name: 4-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphthalazin-1-yl]-N,N-diethyl-benzamide Openeye Name: 4-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphthalazin-1-yl]-N,N-diethyl-benzamide CAS Name: 4-[4-[(4,6-dimethyl-2-pyrimidinyl)thio]-1-phthalazinyl]-N,N-diethylbenzamide IUPAC Name: 4-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphthalazin-1-yl]-N,N-diethylbenzamide Traditional Name: 4-[4-[(4,6-dimethylpyrimidin-2-yl)thio]phthalazin-1-yl]-N,N-diethyl-benzamide Formula: C25H25N5OS MolecularWeight: 443.5639

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)SC4=NC(=CC(=N4)C)C

Isomeric SMILES

CCN(CC)C(=O)C1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)SC4=NC(=CC(=N4)C)C

InChI

InChI=1S/C25H25N5OS/c1-5-30(6-2)24(31)19-13-11-18(12-14-19)22-20-9-7-8-10-21(20)23(29-28-22)32-25-26-16(3)15-17(4)27-25/h7-15H,5-6H2,1-4H3