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

Systemtic Name: [6-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl]-1-ethyl-2-methyl-indol-4-yl] butane-2-sulfonate Openeye Name: [6-[(2,4-diaminopyrimidin-5-yl)methyl]-1-ethyl-2-methyl-indol-4-yl] butane-2-sulfonate CAS Name: 2-butanesulfonic acid IUPAC Name: [6-[(2,4-diaminopyrimidin-5-yl)methyl]-1-ethyl-2-methylindol-4-yl] butane-2-sulfonate Traditional Name: butane-2-sulfonic acid [6-[(2,4-diaminopyrimidin-5-yl)methyl]-1-ethyl-2-methyl-indol-4-yl] ester Formula: C20H27N5O3S MolecularWeight: 417.52508

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)S(=O)(=O)OC1=CC(=CC2=C1C=C(N2CC)C)CC3=CN=C(N=C3N)N

Isomeric SMILES

CCC(C)S(=O)(=O)OC1=CC(=CC2=C1C=C(N2CC)C)CC3=CN=C(N=C3N)N

InChI

InChI=1S/C20H27N5O3S/c1-5-13(4)29(26,27)28-18-10-14(8-15-11-23-20(22)24-19(15)21)9-17-16(18)7-12(3)25(17)6-2/h7,9-11,13H,5-6,8H2,1-4H3,(H4,21,22,23,24)