6-[(4-methylphenyl)sulfonylamino]-2-(7H-purin-6-ylamino)hexanoic acid

Systemtic Name: 6-[(4-methylphenyl)sulfonylamino]-2-(7H-purin-6-ylamino)hexanoic acid Openeye Name: 6-(p-tolylsulfonylamino)-2-(7H-purin-6-ylamino)hexanoic acid CAS Name: 6-[(4-methylphenyl)sulfonylamino]-2-(7H-purin-6-ylamino)hexanoic acid IUPAC Name: 6-[(4-methylphenyl)sulfonylamino]-2-(7H-purin-6-ylamino)hexanoic acid Traditional Name: 2-(7H-purin-6-ylamino)-6-(tosylamino)hexanoic acid Formula: C18H22N6O4S MolecularWeight: 418.47008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCCCCC(C(=O)O)NC2=NC=NC3=C2NC=N3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCCCC(C(=O)O)NC2=NC=NC3=C2NC=N3

InChI

InChI=1S/C18H22N6O4S/c1-12-5-7-13(8-6-12)29(27,28)23-9-3-2-4-14(18(25)26)24-17-15-16(20-10-19-15)21-11-22-17/h5-8,10-11,14,23H,2-4,9H2,1H3,(H,25,26)(H2,19,20,21,22,24)