[2-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl]phenyl] methanesulfonate

Systemtic Name: [2-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl]phenyl] methanesulfonate Openeye Name: [2-[(2,4-diaminopyrimidin-5-yl)methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [2-[(2,4-diamino-5-pyrimidinyl)methyl]phenyl] ester IUPAC Name: [2-[(2,4-diaminopyrimidin-5-yl)methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [2-[(2,4-diaminopyrimidin-5-yl)methyl]phenyl] ester Formula: C12H14N4O3S MolecularWeight: 294.32956

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1=CC=CC=C1CC2=CN=C(N=C2N)N

Isomeric SMILES

CS(=O)(=O)OC1=CC=CC=C1CC2=CN=C(N=C2N)N

InChI

InChI=1S/C12H14N4O3S/c1-20(17,18)19-10-5-3-2-4-8(10)6-9-7-15-12(14)16-11(9)13/h2-5,7H,6H2,1H3,(H4,13,14,15,16)