(6-cyano-8-methyl-2-phenyl-7H-pyrido[2,3-d]pyrimidin-5-yl) 4-methylbenzenesulfonate

Systemtic Name: (6-cyano-8-methyl-2-phenyl-7H-pyrido[2,3-d]pyrimidin-5-yl) 4-methylbenzenesulfonate Openeye Name: (6-cyano-8-methyl-2-phenyl-7H-pyrido[2,3-d]pyrimidin-5-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (6-cyano-8-methyl-2-phenyl-7H-pyrido[2,3-d]pyrimidin-5-yl) ester IUPAC Name: (6-cyano-8-methyl-2-phenyl-7H-pyrido[2,3-d]pyrimidin-5-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (6-cyano-8-methyl-2-phenyl-7H-pyrido[2,3-d]pyrimidin-5-yl) ester Formula: C22H18N4O3S MolecularWeight: 418.46832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(CN(C3=NC(=NC=C23)C4=CC=CC=C4)C)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(CN(C3=NC(=NC=C23)C4=CC=CC=C4)C)C#N

InChI

InChI=1S/C22H18N4O3S/c1-15-8-10-18(11-9-15)30(27,28)29-20-17(12-23)14-26(2)22-19(20)13-24-21(25-22)16-6-4-3-5-7-16/h3-11,13H,14H2,1-2H3