[6-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl]-1-ethyl-3-methyl-indol-4-yl] cyclopropylmethanesulfonate

Systemtic Name: [6-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl]-1-ethyl-3-methyl-indol-4-yl] cyclopropylmethanesulfonate Openeye Name: [6-[(2,4-diaminopyrimidin-5-yl)methyl]-1-ethyl-3-methyl-indol-4-yl] cyclopropylmethanesulfonate CAS Name: cyclopropylmethanesulfonic acid [6-[(2,4-diamino-5-pyrimidinyl)methyl]-1-ethyl-3-methyl-4-indolyl] ester IUPAC Name: [6-[(2,4-diaminopyrimidin-5-yl)methyl]-1-ethyl-3-methylindol-4-yl] cyclopropylmethanesulfonate Traditional Name: cyclopropylmethanesulfonic acid [6-[(2,4-diaminopyrimidin-5-yl)methyl]-1-ethyl-3-methyl-indol-4-yl] ester Formula: C20H25N5O3S MolecularWeight: 415.5092

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C2=C1C=C(C=C2OS(=O)(=O)CC3CC3)CC4=CN=C(N=C4N)N)C

Isomeric SMILES

CCN1C=C(C2=C1C=C(C=C2OS(=O)(=O)CC3CC3)CC4=CN=C(N=C4N)N)C

InChI

InChI=1S/C20H25N5O3S/c1-3-25-10-12(2)18-16(25)7-14(6-15-9-23-20(22)24-19(15)21)8-17(18)28-29(26,27)11-13-4-5-13/h7-10,13H,3-6,11H2,1-2H3,(H4,21,22,23,24)