[4-[[2,6-bis(azanyl)-4,5-dihydropyrimidin-5-yl]methyl]-2-methoxy-phenyl] methanesulfonate

Systemtic Name: [4-[[2,6-bis(azanyl)-4,5-dihydropyrimidin-5-yl]methyl]-2-methoxy-phenyl] methanesulfonate Openeye Name: [4-[(2,6-diamino-4,5-dihydropyrimidin-5-yl)methyl]-2-methoxy-phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[(2,6-diamino-4,5-dihydropyrimidin-5-yl)methyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(2,6-diamino-4,5-dihydropyrimidin-5-yl)methyl]-2-methoxyphenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[(2,6-diamino-4,5-dihydropyrimidin-5-yl)methyl]-2-methoxy-phenyl] ester Formula: C13H18N4O4S MolecularWeight: 326.37142

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CC2CN=C(N=C2N)N)OS(=O)(=O)C

Isomeric SMILES

COC1=C(C=CC(=C1)CC2CN=C(N=C2N)N)OS(=O)(=O)C

InChI

InChI=1S/C13H18N4O4S/c1-20-11-6-8(3-4-10(11)21-22(2,18)19)5-9-7-16-13(15)17-12(9)14/h3-4,6,9H,5,7H2,1-2H3,(H4,14,15,16,17)