methanesulfonic acid; 1-methyl-N-(2-methyl-1-oxidanyl-propan-2-yl)-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)indole-5-carboxamide

Systemtic Name: methanesulfonic acid; 1-methyl-N-(2-methyl-1-oxidanyl-propan-2-yl)-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)indole-5-carboxamide Openeye Name: N-(2-hydroxy-1,1-dimethyl-ethyl)-1-methyl-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)indole-5-carboxamide; methanesulfonic acid CAS Name: N-(1-hydroxy-2-methylpropan-2-yl)-1-methyl-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)-5-indolecarboxamide; methanesulfonic acid IUPAC Name: N-(1-hydroxy-2-methylpropan-2-yl)-1-methyl-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)indole-5-carboxamide; methanesulfonic acid Traditional Name: N-(2-hydroxy-1,1-dimethyl-ethyl)-1-methyl-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)indole-5-carboxamide; mesylic acid Formula: C21H25N5O5S MolecularWeight: 459.5187

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CO)NC(=O)C1=CC2=C(C=C1)N(C=C2C3=CN=C4C(=N3)C=CN4)C.CS(=O)(=O)O

Isomeric SMILES

CC(C)(CO)NC(=O)C1=CC2=C(C=C1)N(C=C2C3=CN=C4C(=N3)C=CN4)C.CS(=O)(=O)O

InChI

InChI=1S/C20H21N5O2.CH4O3S/c1-20(2,11-26)24-19(27)12-4-5-17-13(8-12)14(10-25(17)3)16-9-22-18-15(23-16)6-7-21-18;1-5(2,3)4/h4-10,26H,11H2,1-3H3,(H,21,22)(H,24,27);1H3,(H,2,3,4)