[2-(3-aminophenyl)-5-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl]-3-ethoxy-phenyl] oxolan-2-ylmethanesulfonate

Systemtic Name: [2-(3-aminophenyl)-5-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl]-3-ethoxy-phenyl] oxolan-2-ylmethanesulfonate Openeye Name: [2-(3-aminophenyl)-5-[(2,4-diaminopyrimidin-5-yl)methyl]-3-ethoxy-phenyl] tetrahydrofuran-2-ylmethanesulfonate CAS Name: 2-oxolanylmethanesulfonic acid [2-(3-aminophenyl)-5-[(2,4-diamino-5-pyrimidinyl)methyl]-3-ethoxyphenyl] ester IUPAC Name: [2-(3-aminophenyl)-5-[(2,4-diaminopyrimidin-5-yl)methyl]-3-ethoxyphenyl] oxolan-2-ylmethanesulfonate Traditional Name: tetrahydrofurylmethanesulfonic acid [2-(3-aminophenyl)-5-[(2,4-diaminopyrimidin-5-yl)methyl]-3-ethoxy-phenyl] ester Formula: C24H29N5O5S MolecularWeight: 499.58256

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)CC2=CN=C(N=C2N)N)OS(=O)(=O)CC3CCCO3)C4=CC(=CC=C4)N

Isomeric SMILES

CCOC1=C(C(=CC(=C1)CC2=CN=C(N=C2N)N)OS(=O)(=O)CC3CCCO3)C4=CC(=CC=C4)N

InChI

InChI=1S/C24H29N5O5S/c1-2-32-20-10-15(9-17-13-28-24(27)29-23(17)26)11-21(22(20)16-5-3-6-18(25)12-16)34-35(30,31)14-19-7-4-8-33-19/h3,5-6,10-13,19H,2,4,7-9,14,25H2,1H3,(H4,26,27,28,29)