[1-oxidanylidene-1-(7H-purin-6-ylamino)propan-2-yl] 2-[(4-ethanoylphenyl)sulfonyl-methyl-amino]ethanoate

Systemtic Name: [1-oxidanylidene-1-(7H-purin-6-ylamino)propan-2-yl] 2-[(4-ethanoylphenyl)sulfonyl-methyl-amino]ethanoate Openeye Name: [1-methyl-2-oxo-2-(7H-purin-6-ylamino)ethyl] 2-[(4-acetylphenyl)sulfonyl-methyl-amino]acetate CAS Name: 2-[(4-acetylphenyl)sulfonyl-methylamino]acetic acid [1-oxo-1-(7H-purin-6-ylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(7H-purin-6-ylamino)propan-2-yl] 2-[(4-acetylphenyl)sulfonyl-methylamino]acetate Traditional Name: 2-[(4-acetylphenyl)sulfonyl-methyl-amino]acetic acid [2-keto-1-methyl-2-(7H-purin-6-ylamino)ethyl] ester Formula: C19H20N6O6S MolecularWeight: 460.4637

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC=NC2=C1NC=N2)OC(=O)CN(C)S(=O)(=O)C3=CC=C(C=C3)C(=O)C

Isomeric SMILES

CC(C(=O)NC1=NC=NC2=C1NC=N2)OC(=O)CN(C)S(=O)(=O)C3=CC=C(C=C3)C(=O)C

InChI

InChI=1S/C19H20N6O6S/c1-11(26)13-4-6-14(7-5-13)32(29,30)25(3)8-15(27)31-12(2)19(28)24-18-16-17(21-9-20-16)22-10-23-18/h4-7,9-10,12H,8H2,1-3H3,(H2,20,21,22,23,24,28)