[4-[[2,6-bis(oxidanylidene)-3-phenethyl-1-propyl-7H-purin-8-yl]methyl]phenyl] hydrogen sulfite

Systemtic Name: [4-[[2,6-bis(oxidanylidene)-3-phenethyl-1-propyl-7H-purin-8-yl]methyl]phenyl] hydrogen sulfite Openeye Name: [4-[(2,6-dioxo-3-phenethyl-1-propyl-7H-purin-8-yl)methyl]phenyl] hydrogen sulfite CAS Name: sulfurous acid [4-[(2,6-dioxo-3-phenethyl-1-propyl-7H-purin-8-yl)methyl]phenyl] ester IUPAC Name: [4-[(2,6-dioxo-3-phenethyl-1-propyl-7H-purin-8-yl)methyl]phenyl] hydrogen sulfite Traditional Name: sulfurous acid [4-[(2,6-diketo-3-phenethyl-1-propyl-7H-purin-8-yl)methyl]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=C(C=C3)OS(=O)O)N(C1=O)CCC4=CC=CC=C4

Isomeric SMILES

CCCN1C(=O)C2=C(N=C(N2)CC3=CC=C(C=C3)OS(=O)O)N(C1=O)CCC4=CC=CC=C4

InChI

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