[2,6-bis(azanyl)pyrimidin-4-yl] 4-methylbenzenesulfonate

Systemtic Name: [2,6-bis(azanyl)pyrimidin-4-yl] 4-methylbenzenesulfonate Openeye Name: (2,6-diaminopyrimidin-4-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (2,6-diamino-4-pyrimidinyl) ester IUPAC Name: (2,6-diaminopyrimidin-4-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (2,6-diaminopyrimidin-4-yl) ester Formula: C11H12N4O3S MolecularWeight: 280.30298

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=NC(=NC(=C2)N)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=NC(=NC(=C2)N)N

InChI

InChI=1S/C11H12N4O3S/c1-7-2-4-8(5-3-7)19(16,17)18-10-6-9(12)14-11(13)15-10/h2-6H,1H3,(H4,12,13,14,15)