[2-(3-azanyl-4-methoxy-phenyl)-5-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl]-3-ethoxy-phenyl] butane-2-sulfonate

Systemtic Name: [2-(3-azanyl-4-methoxy-phenyl)-5-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl]-3-ethoxy-phenyl] butane-2-sulfonate Openeye Name: [2-(3-amino-4-methoxy-phenyl)-5-[(2,4-diaminopyrimidin-5-yl)methyl]-3-ethoxy-phenyl] butane-2-sulfonate CAS Name: 2-butanesulfonic acid IUPAC Name: [2-(3-amino-4-methoxyphenyl)-5-[(2,4-diaminopyrimidin-5-yl)methyl]-3-ethoxyphenyl] butane-2-sulfonate Traditional Name: butane-2-sulfonic acid [2-(3-amino-4-methoxy-phenyl)-5-[(2,4-diaminopyrimidin-5-yl)methyl]-3-ethoxy-phenyl] ester Formula: C24H31N5O5S MolecularWeight: 501.59844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)S(=O)(=O)OC1=CC(=CC(=C1C2=CC(=C(C=C2)OC)N)OCC)CC3=CN=C(N=C3N)N

Isomeric SMILES

CCC(C)S(=O)(=O)OC1=CC(=CC(=C1C2=CC(=C(C=C2)OC)N)OCC)CC3=CN=C(N=C3N)N

InChI

InChI=1S/C24H31N5O5S/c1-5-14(3)35(30,31)34-21-11-15(9-17-13-28-24(27)29-23(17)26)10-20(33-6-2)22(21)16-7-8-19(32-4)18(25)12-16/h7-8,10-14H,5-6,9,25H2,1-4H3,(H4,26,27,28,29)