bis[(4-methylphenyl)sulfonylamino]-(7H-purin-6-yl)sulfanium

Systemtic Name: bis[(4-methylphenyl)sulfonylamino]-(7H-purin-6-yl)sulfanium Openeye Name: bis(p-tolylsulfonylamino)-(7H-purin-6-yl)sulfonium CAS Name: bis[(4-methylphenyl)sulfonylamino]-(7H-purin-6-yl)sulfonium IUPAC Name: bis[(4-methylphenyl)sulfonylamino]-(7H-purin-6-yl)sulfanium Traditional Name: 7H-purin-6-yl-bis(tosylamino)sulfonium Formula: C19H19N6O4S3+ MolecularWeight: 491.58696

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N[S+](C2=NC=NC3=C2NC=N3)NS(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[S+](C2=NC=NC3=C2NC=N3)NS(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C19H19N6O4S3/c1-13-3-7-15(8-4-13)31(26,27)24-30(19-17-18(21-11-20-17)22-12-23-19)25-32(28,29)16-9-5-14(2)6-10-16/h3-12,24-25H,1-2H3,(H,20,21,22,23)/q+1