2-[5-cyano-2,4-bis(oxidanylidene)pyrimidin-1-yl]ethyl 4-methylbenzenesulfonate

Systemtic Name: 2-[5-cyano-2,4-bis(oxidanylidene)pyrimidin-1-yl]ethyl 4-methylbenzenesulfonate Openeye Name: 2-(5-cyano-2,4-dioxo-pyrimidin-1-yl)ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-(5-cyano-2,4-dioxo-1-pyrimidinyl)ethyl ester IUPAC Name: 2-(5-cyano-2,4-dioxopyrimidin-1-yl)ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-(5-cyano-2,4-diketo-pyrimidin-1-yl)ethyl ester Formula: C14H13N3O5S MolecularWeight: 335.33512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCN2C=C(C(=O)NC2=O)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCN2C=C(C(=O)NC2=O)C#N

InChI

InChI=1S/C14H13N3O5S/c1-10-2-4-12(5-3-10)23(20,21)22-7-6-17-9-11(8-15)13(18)16-14(17)19/h2-5,9H,6-7H2,1H3,(H,16,18,19)