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

Systemtic Name: [3-[[2,6-bis(oxidanylidene)-3-phenethyl-1-propyl-7H-purin-8-yl]methyl]phenyl] sulfite Openeye Name: [3-[(2,6-dioxo-3-phenethyl-1-propyl-7H-purin-8-yl)methyl]phenyl] sulfite CAS Name: [3-[(2,6-dioxo-3-phenethyl-1-propyl-7H-purin-8-yl)methyl]phenyl] sulfite IUPAC Name: [3-[(2,6-dioxo-3-phenethyl-1-propyl-7H-purin-8-yl)methyl]phenyl] sulfite Traditional Name: [3-[(2,6-diketo-3-phenethyl-1-propyl-7H-purin-8-yl)methyl]phenyl] sulfite Formula: C23H23N4O5S- MolecularWeight: 467.51752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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