[5-(2-azanyl-6-sulfanylidene-3H-purin-9-yl)-2-[bis(4-methoxyphenyl)-phenyl-methoxy]oxolan-3-yl] ethanoate

Systemtic Name: [5-(2-azanyl-6-sulfanylidene-3H-purin-9-yl)-2-[bis(4-methoxyphenyl)-phenyl-methoxy]oxolan-3-yl] ethanoate Openeye Name: [5-(2-amino-6-thioxo-3H-purin-9-yl)-2-[bis(4-methoxyphenyl)-phenyl-methoxy]tetrahydrofuran-3-yl] acetate CAS Name: acetic acid [5-(2-amino-6-sulfanylidene-3H-purin-9-yl)-2-[bis(4-methoxyphenyl)-phenylmethoxy]-3-oxolanyl] ester IUPAC Name: [5-(2-amino-6-sulfanylidene-3H-purin-9-yl)-2-[bis(4-methoxyphenyl)-phenylmethoxy]oxolan-3-yl] acetate Traditional Name: acetic acid [5-(2-amino-6-thioxo-3H-purin-9-yl)-2-[bis(4-methoxyphenyl)-phenyl-methoxy]tetrahydrofuran-3-yl] ester Formula: C32H31N5O6S MolecularWeight: 613.68344

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CC(OC1OC(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC)N5C=NC6=C5NC(=NC6=S)N

Isomeric SMILES

CC(=O)OC1CC(OC1OC(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC)N5C=NC6=C5NC(=NC6=S)N

InChI

InChI=1S/C32H31N5O6S/c1-19(38)41-25-17-26(37-18-34-27-28(37)35-31(33)36-29(27)44)42-30(25)43-32(20-7-5-4-6-8-20,21-9-13-23(39-2)14-10-21)22-11-15-24(40-3)16-12-22/h4-16,18,25-26,30H,17H2,1-3H3,(H3,33,35,36,44)