[6-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl]-1-ethyl-indol-4-yl] 2-methylpropane-1-sulfonate

Systemtic Name: [6-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl]-1-ethyl-indol-4-yl] 2-methylpropane-1-sulfonate Openeye Name: [6-[(2,4-diaminopyrimidin-5-yl)methyl]-1-ethyl-indol-4-yl] 2-methylpropane-1-sulfonate CAS Name: 2-methyl-1-propanesulfonic acid IUPAC Name: [6-[(2,4-diaminopyrimidin-5-yl)methyl]-1-ethylindol-4-yl] 2-methylpropane-1-sulfonate Traditional Name: 2-methylpropane-1-sulfonic acid [6-[(2,4-diaminopyrimidin-5-yl)methyl]-1-ethyl-indol-4-yl] ester Formula: C19H25N5O3S MolecularWeight: 403.4985

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=CC2=C1C=C(C=C2OS(=O)(=O)CC(C)C)CC3=CN=C(N=C3N)N

Isomeric SMILES

CCN1C=CC2=C1C=C(C=C2OS(=O)(=O)CC(C)C)CC3=CN=C(N=C3N)N

InChI

InChI=1S/C19H25N5O3S/c1-4-24-6-5-15-16(24)8-13(7-14-10-22-19(21)23-18(14)20)9-17(15)27-28(25,26)11-12(2)3/h5-6,8-10,12H,4,7,11H2,1-3H3,(H4,20,21,22,23)