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

Systemtic Name: 6-ethyl-2-[2-(4-methyl-3-oxidanylidene-1,4-benzoxazin-6-yl)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-pyrimidine-5-carbonitrile Openeye Name: 6-ethyl-2-[2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-oxo-ethyl]sulfanyl-4-oxo-1H-pyrimidine-5-carbonitrile CAS Name: 6-ethyl-2-[[2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-oxoethyl]thio]-4-oxo-1H-pyrimidine-5-carbonitrile IUPAC Name: 6-ethyl-2-[2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-oxoethyl]sulfanyl-4-oxo-1H-pyrimidine-5-carbonitrile Traditional Name: 6-ethyl-4-keto-2-[[2-keto-2-(3-keto-4-methyl-1,4-benzoxazin-6-yl)ethyl]thio]-1H-pyrimidine-5-carbonitrile Formula: C18H16N4O4S MolecularWeight: 384.40904

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=O)N=C(N1)SCC(=O)C2=CC3=C(C=C2)OCC(=O)N3C)C#N

Isomeric SMILES

CCC1=C(C(=O)N=C(N1)SCC(=O)C2=CC3=C(C=C2)OCC(=O)N3C)C#N

InChI

InChI=1S/C18H16N4O4S/c1-3-12-11(7-19)17(25)21-18(20-12)27-9-14(23)10-4-5-15-13(6-10)22(2)16(24)8-26-15/h4-6H,3,8-9H2,1-2H3,(H,20,21,25)