[6-(phenylcarbonyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl] 4-methylbenzenesulfonate

Systemtic Name: [6-(phenylcarbonyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl] 4-methylbenzenesulfonate Openeye Name: (6-benzoyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (6-benzoyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl) ester IUPAC Name: (6-benzoyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (6-benzoyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl) ester Formula: C20H17N3O4S MolecularWeight: 395.43168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=NC=NC3=C2CN(C3)C(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=NC=NC3=C2CN(C3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C20H17N3O4S/c1-14-7-9-16(10-8-14)28(25,26)27-19-17-11-23(12-18(17)21-13-22-19)20(24)15-5-3-2-4-6-15/h2-10,13H,11-12H2,1H3