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

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

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1=CC=C(C=C1)CC2=CN=C(N=C2N)N

Isomeric SMILES

CS(=O)(=O)OC1=CC=C(C=C1)CC2=CN=C(N=C2N)N

InChI

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