2-[6-[(Z)-N'-(4-methylphenyl)sulfonylcarbamimidoyl]-2-oxidanylidene-1H-purin-9-yl]ethyl N-(4-methylphenyl)sulfonylcarbamate

Systemtic Name: 2-[6-[(Z)-N'-(4-methylphenyl)sulfonylcarbamimidoyl]-2-oxidanylidene-1H-purin-9-yl]ethyl N-(4-methylphenyl)sulfonylcarbamate Openeye Name: 2-[2-oxo-6-[(Z)-N'-(p-tolylsulfonyl)carbamimidoyl]-1H-purin-9-yl]ethyl N-(p-tolylsulfonyl)carbamate CAS Name: N-(4-methylphenyl)sulfonylcarbamic acid 2-[6-[(Z)-amino-(4-methylphenyl)sulfonyliminomethyl]-2-oxo-1H-purin-9-yl]ethyl ester IUPAC Name: 2-[6-[(Z)-N'-(4-methylphenyl)sulfonylcarbamimidoyl]-2-oxo-1H-purin-9-yl]ethyl N-(4-methylphenyl)sulfonylcarbamate Traditional Name: N-tosylcarbamic acid 2-[2-keto-6-[(Z)-N'-tosylamidino]-1H-purin-9-yl]ethyl ester Formula: C23H23N7O7S2 MolecularWeight: 573.60142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)OCCN2C=NC3=C(NC(=O)N=C32)C(=NS(=O)(=O)C4=CC=C(C=C4)C)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)OCCN2C=NC3=C(NC(=O)N=C32)/C(=N/S(=O)(=O)C4=CC=C(C=C4)C)/N

InChI

InChI=1S/C23H23N7O7S2/c1-14-3-7-16(8-4-14)38(33,34)28-20(24)18-19-21(27-22(31)26-18)30(13-25-19)11-12-37-23(32)29-39(35,36)17-9-5-15(2)6-10-17/h3-10,13H,11-12H2,1-2H3,(H2,24,28)(H,29,32)(H,26,27,31)