1-ethyl-3-[2-(4-methylsulfonylphenyl)-2-oxidanylidene-ethyl]-2,4-bis(oxidanylidene)pyrimidine-5-carbonitrile

Systemtic Name: 1-ethyl-3-[2-(4-methylsulfonylphenyl)-2-oxidanylidene-ethyl]-2,4-bis(oxidanylidene)pyrimidine-5-carbonitrile Openeye Name: 1-ethyl-3-[2-(4-methylsulfonylphenyl)-2-oxo-ethyl]-2,4-dioxo-pyrimidine-5-carbonitrile CAS Name: 1-ethyl-3-[2-(4-methylsulfonylphenyl)-2-oxoethyl]-2,4-dioxo-5-pyrimidinecarbonitrile IUPAC Name: 1-ethyl-3-[2-(4-methylsulfonylphenyl)-2-oxoethyl]-2,4-dioxopyrimidine-5-carbonitrile Traditional Name: 1-ethyl-2,4-diketo-3-[2-keto-2-(4-mesylphenyl)ethyl]pyrimidine-5-carbonitrile Formula: C16H15N3O5S MolecularWeight: 361.3724

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)N(C1=O)CC(=O)C2=CC=C(C=C2)S(=O)(=O)C)C#N

Isomeric SMILES

CCN1C=C(C(=O)N(C1=O)CC(=O)C2=CC=C(C=C2)S(=O)(=O)C)C#N

InChI

InChI=1S/C16H15N3O5S/c1-3-18-9-12(8-17)15(21)19(16(18)22)10-14(20)11-4-6-13(7-5-11)25(2,23)24/h4-7,9H,3,10H2,1-2H3