[4-(4-azanyl-5-oxidanylidene-chromeno[4,3-d]pyrimidin-2-yl)phenyl] 4-methylbenzenesulfonate

Systemtic Name: [4-(4-azanyl-5-oxidanylidene-chromeno[4,3-d]pyrimidin-2-yl)phenyl] 4-methylbenzenesulfonate Openeye Name: [4-(4-amino-5-oxo-chromeno[4,3-d]pyrimidin-2-yl)phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-(4-amino-5-oxo-2-[1]benzopyrano[4,3-d]pyrimidinyl)phenyl] ester IUPAC Name: [4-(4-amino-5-oxochromeno[4,3-d]pyrimidin-2-yl)phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-(4-amino-5-keto-chromeno[4,3-d]pyrimidin-2-yl)phenyl] ester Formula: C24H17N3O5S MolecularWeight: 459.47388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C3=NC4=C(C(=N3)N)C(=O)OC5=CC=CC=C54

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C3=NC4=C(C(=N3)N)C(=O)OC5=CC=CC=C54

InChI

InChI=1S/C24H17N3O5S/c1-14-6-12-17(13-7-14)33(29,30)32-16-10-8-15(9-11-16)23-26-21-18-4-2-3-5-19(18)31-24(28)20(21)22(25)27-23/h2-13H,1H3,(H2,25,26,27)