S-[6-(furan-2-yl)-9-[(4-methoxyphenyl)methyl]purin-2-yl] ethanethioate

Systemtic Name: S-[6-(furan-2-yl)-9-[(4-methoxyphenyl)methyl]purin-2-yl] ethanethioate Openeye Name: S-[6-(2-furyl)-9-[(4-methoxyphenyl)methyl]purin-2-yl] ethanethioate CAS Name: ethanethioic acid S-[6-(2-furanyl)-9-[(4-methoxyphenyl)methyl]-2-purinyl] ester IUPAC Name: S-[6-(furan-2-yl)-9-[(4-methoxyphenyl)methyl]purin-2-yl] ethanethioate Traditional Name: ethanethioic acid S-[6-(2-furyl)-9-p-anisyl-purin-2-yl] ester Formula: C19H16N4O3S MolecularWeight: 380.42034

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1=NC(=C2C(=N1)N(C=N2)CC3=CC=C(C=C3)OC)C4=CC=CO4

Isomeric SMILES

CC(=O)SC1=NC(=C2C(=N1)N(C=N2)CC3=CC=C(C=C3)OC)C4=CC=CO4

InChI

InChI=1S/C19H16N4O3S/c1-12(24)27-19-21-16(15-4-3-9-26-15)17-18(22-19)23(11-20-17)10-13-5-7-14(25-2)8-6-13/h3-9,11H,10H2,1-2H3