2-[2-(4-methyl-3-oxidanylidene-1,4-benzoxazin-6-yl)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-6-phenyl-1H-pyrimidine-5-carbonitrile

Systemtic Name: 2-[2-(4-methyl-3-oxidanylidene-1,4-benzoxazin-6-yl)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-6-phenyl-1H-pyrimidine-5-carbonitrile Openeye Name: 2-[2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-oxo-ethyl]sulfanyl-4-oxo-6-phenyl-1H-pyrimidine-5-carbonitrile CAS Name: 2-[[2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-oxoethyl]thio]-4-oxo-6-phenyl-1H-pyrimidine-5-carbonitrile IUPAC Name: 2-[2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-oxoethyl]sulfanyl-4-oxo-6-phenyl-1H-pyrimidine-5-carbonitrile Traditional Name: 4-keto-2-[[2-keto-2-(3-keto-4-methyl-1,4-benzoxazin-6-yl)ethyl]thio]-6-phenyl-1H-pyrimidine-5-carbonitrile Formula: C22H16N4O4S MolecularWeight: 432.45184

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)COC2=C1C=C(C=C2)C(=O)CSC3=NC(=O)C(=C(N3)C4=CC=CC=C4)C#N

Isomeric SMILES

CN1C(=O)COC2=C1C=C(C=C2)C(=O)CSC3=NC(=O)C(=C(N3)C4=CC=CC=C4)C#N

InChI

InChI=1S/C22H16N4O4S/c1-26-16-9-14(7-8-18(16)30-11-19(26)28)17(27)12-31-22-24-20(13-5-3-2-4-6-13)15(10-23)21(29)25-22/h2-9H,11-12H2,1H3,(H,24,25,29)