1-[4-[2-[6-azanyl-8-(2,5-dimethoxyphenyl)sulfanyl-purin-3-yl]ethyl]phenyl]ethanone

Systemtic Name: 1-[4-[2-[6-azanyl-8-(2,5-dimethoxyphenyl)sulfanyl-purin-3-yl]ethyl]phenyl]ethanone Openeye Name: 1-[4-[2-[6-amino-8-(2,5-dimethoxyphenyl)sulfanyl-purin-3-yl]ethyl]phenyl]ethanone CAS Name: 1-[4-[2-[6-amino-8-[(2,5-dimethoxyphenyl)thio]-3-purinyl]ethyl]phenyl]ethanone IUPAC Name: 1-[4-[2-[6-amino-8-(2,5-dimethoxyphenyl)sulfanylpurin-3-yl]ethyl]phenyl]ethanone Traditional Name: 1-[4-[2-[6-amino-8-[(2,5-dimethoxyphenyl)thio]purin-3-yl]ethyl]phenyl]ethanone Formula: C23H23N5O3S MolecularWeight: 449.52542

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)CCN2C=NC(=C3C2=NC(=N3)SC4=C(C=CC(=C4)OC)OC)N

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)CCN2C=NC(=C3C2=NC(=N3)SC4=C(C=CC(=C4)OC)OC)N

InChI

InChI=1S/C23H23N5O3S/c1-14(29)16-6-4-15(5-7-16)10-11-28-13-25-21(24)20-22(28)27-23(26-20)32-19-12-17(30-2)8-9-18(19)31-3/h4-9,12-13H,10-11,24H2,1-3H3