[2,4-bis(oxidanylidene)pteridin-1-yl] 4-methylbenzenesulfonate

Systemtic Name: [2,4-bis(oxidanylidene)pteridin-1-yl] 4-methylbenzenesulfonate Openeye Name: (2,4-dioxopteridin-1-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (2,4-dioxo-1-pteridinyl) ester IUPAC Name: (2,4-dioxopteridin-1-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (2,4-diketopteridin-1-yl) ester Formula: C13H10N4O5S MolecularWeight: 334.3073

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)ON2C3=NC=CN=C3C(=O)NC2=O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)ON2C3=NC=CN=C3C(=O)NC2=O

InChI

InChI=1S/C13H10N4O5S/c1-8-2-4-9(5-3-8)23(20,21)22-17-11-10(14-6-7-15-11)12(18)16-13(17)19/h2-7H,1H3,(H,16,18,19)