2-(2,8-dimethyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-3-yl)ethyl 4-methylbenzenesulfonate

Systemtic Name: 2-(2,8-dimethyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-3-yl)ethyl 4-methylbenzenesulfonate Openeye Name: 2-(2,8-dimethyl-4-oxo-pyrido[1,2-a]pyrimidin-3-yl)ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-(2,8-dimethyl-4-oxo-3-pyrido[1,2-a]pyrimidinyl)ethyl ester IUPAC Name: 2-(2,8-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-(4-keto-2,8-dimethyl-pyrido[1,2-a]pyrimidin-3-yl)ethyl ester Formula: C19H20N2O4S MolecularWeight: 372.4381

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCC2=C(N=C3C=C(C=CN3C2=O)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCC2=C(N=C3C=C(C=CN3C2=O)C)C

InChI

InChI=1S/C19H20N2O4S/c1-13-4-6-16(7-5-13)26(23,24)25-11-9-17-15(3)20-18-12-14(2)8-10-21(18)19(17)22/h4-8,10,12H,9,11H2,1-3H3