[2-[2-[2,6-bis(oxidanylidene)-8-(phenylmethyl)-1-propyl-7H-purin-3-yl]ethyl]phenyl] hydrogen sulfite

Systemtic Name: [2-[2-[2,6-bis(oxidanylidene)-8-(phenylmethyl)-1-propyl-7H-purin-3-yl]ethyl]phenyl] hydrogen sulfite Openeye Name: [2-[2-(8-benzyl-2,6-dioxo-1-propyl-7H-purin-3-yl)ethyl]phenyl] hydrogen sulfite CAS Name: sulfurous acid [2-[2-[2,6-dioxo-8-(phenylmethyl)-1-propyl-7H-purin-3-yl]ethyl]phenyl] ester IUPAC Name: [2-[2-(8-benzyl-2,6-dioxo-1-propyl-7H-purin-3-yl)ethyl]phenyl] hydrogen sulfite Traditional Name: sulfurous acid [2-[2-(8-benzyl-2,6-diketo-1-propyl-7H-purin-3-yl)ethyl]phenyl] ester Formula: C23H24N4O5S MolecularWeight: 468.52546

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(N=C(N2)CC3=CC=CC=C3)N(C1=O)CCC4=CC=CC=C4OS(=O)O

Isomeric SMILES

CCCN1C(=O)C2=C(N=C(N2)CC3=CC=CC=C3)N(C1=O)CCC4=CC=CC=C4OS(=O)O

InChI

InChI=1S/C23H24N4O5S/c1-2-13-27-22(28)20-21(25-19(24-20)15-16-8-4-3-5-9-16)26(23(27)29)14-12-17-10-6-7-11-18(17)32-33(30)31/h3-11H,2,12-15H2,1H3,(H,24,25)(H,30,31)