2-[2-methylsulfonyloxyethyl-[4-[(7H-purin-6-ylhydrazinylidene)methyl]phenyl]amino]ethyl methanesulfonate

Systemtic Name: 2-[2-methylsulfonyloxyethyl-[4-[(7H-purin-6-ylhydrazinylidene)methyl]phenyl]amino]ethyl methanesulfonate Openeye Name: 2-[N-(2-methylsulfonyloxyethyl)-4-[(7H-purin-6-ylhydrazono)methyl]anilino]ethyl methanesulfonate CAS Name: methanesulfonic acid 2-[N-(2-methylsulfonyloxyethyl)-4-[(7H-purin-6-ylhydrazinylidene)methyl]anilino]ethyl ester IUPAC Name: 2-[N-(2-methylsulfonyloxyethyl)-4-[(7H-purin-6-ylhydrazinylidene)methyl]anilino]ethyl methanesulfonate Traditional Name: methanesulfonic acid 2-[N-(2-methylsulfonyloxyethyl)-4-[(7H-purin-6-ylhydrazono)methyl]anilino]ethyl ester Formula: C18H23N7O6S2 MolecularWeight: 497.54852

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OCCN(CCOS(=O)(=O)C)C1=CC=C(C=C1)C=NNC2=NC=NC3=C2NC=N3

Isomeric SMILES

CS(=O)(=O)OCCN(CCOS(=O)(=O)C)C1=CC=C(C=C1)C=NNC2=NC=NC3=C2NC=N3

InChI

InChI=1S/C18H23N7O6S2/c1-32(26,27)30-9-7-25(8-10-31-33(2,28)29)15-5-3-14(4-6-15)11-23-24-18-16-17(20-12-19-16)21-13-22-18/h3-6,11-13H,7-10H2,1-2H3,(H2,19,20,21,22,24)