(2-methyl-7-oxidanylidene-8H-pyrimido[5,4-b][1,4]oxazin-4-yl) 4-methylbenzenesulfonate

Systemtic Name: (2-methyl-7-oxidanylidene-8H-pyrimido[5,4-b][1,4]oxazin-4-yl) 4-methylbenzenesulfonate Openeye Name: (2-methyl-7-oxo-8H-pyrimido[5,4-b][1,4]oxazin-4-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (2-methyl-7-oxo-8H-pyrimido[5,4-b][1,4]oxazin-4-yl) ester IUPAC Name: (2-methyl-7-oxo-8H-pyrimido[5,4-b][1,4]oxazin-4-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (7-keto-2-methyl-8H-pyrimido[5,4-b][1,4]oxazin-4-yl) ester Formula: C14H13N3O5S MolecularWeight: 335.33512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=NC(=NC3=C2OCC(=O)N3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=NC(=NC3=C2OCC(=O)N3)C

InChI

InChI=1S/C14H13N3O5S/c1-8-3-5-10(6-4-8)23(19,20)22-14-12-13(15-9(2)16-14)17-11(18)7-21-12/h3-6H,7H2,1-2H3,(H,15,16,17,18)