N-[1-methyl-2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]benzimidazol-5-yl]-2-(4-methyl-1-oxidanylidene-phthalazin-2-yl)ethanamide

Systemtic Name: N-[1-methyl-2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]benzimidazol-5-yl]-2-(4-methyl-1-oxidanylidene-phthalazin-2-yl)ethanamide Openeye Name: N-[1-methyl-2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]benzimidazol-5-yl]-2-(4-methyl-1-oxo-phthalazin-2-yl)acetamide CAS Name: N-[1-methyl-2-[[(4-methyl-2-pyrimidinyl)thio]methyl]-5-benzimidazolyl]-2-(4-methyl-1-oxo-2-phthalazinyl)acetamide IUPAC Name: N-[1-methyl-2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]benzimidazol-5-yl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide Traditional Name: 2-(1-keto-4-methyl-phthalazin-2-yl)-N-[1-methyl-2-[[(4-methylpyrimidin-2-yl)thio]methyl]benzimidazol-5-yl]acetamide Formula: C25H23N7O2S MolecularWeight: 485.56082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1)SCC2=NC3=C(N2C)C=CC(=C3)NC(=O)CN4C(=O)C5=CC=CC=C5C(=N4)C

Isomeric SMILES

CC1=NC(=NC=C1)SCC2=NC3=C(N2C)C=CC(=C3)NC(=O)CN4C(=O)C5=CC=CC=C5C(=N4)C

InChI

InChI=1S/C25H23N7O2S/c1-15-10-11-26-25(27-15)35-14-22-29-20-12-17(8-9-21(20)31(22)3)28-23(33)13-32-24(34)19-7-5-4-6-18(19)16(2)30-32/h4-12H,13-14H2,1-3H3,(H,28,33)