2-(diethoxymethyl)-9-(phenylmethyl)-8-(phenylmethylsulfanyl)-3H-purin-6-one

Systemtic Name: 2-(diethoxymethyl)-9-(phenylmethyl)-8-(phenylmethylsulfanyl)-3H-purin-6-one Openeye Name: 9-benzyl-8-benzylsulfanyl-2-(diethoxymethyl)-3H-purin-6-one CAS Name: 2-(diethoxymethyl)-9-(phenylmethyl)-8-(phenylmethylthio)-3H-purin-6-one IUPAC Name: 9-benzyl-8-benzylsulfanyl-2-(diethoxymethyl)-3H-purin-6-one Traditional Name: 9-benzyl-8-(benzylthio)-2-(diethoxymethyl)-3H-purin-6-one Formula: C24H26N4O3S MolecularWeight: 450.55324

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(C1=NC(=O)C2=C(N1)N(C(=N2)SCC3=CC=CC=C3)CC4=CC=CC=C4)OCC

Isomeric SMILES

CCOC(C1=NC(=O)C2=C(N1)N(C(=N2)SCC3=CC=CC=C3)CC4=CC=CC=C4)OCC

InChI

InChI=1S/C24H26N4O3S/c1-3-30-23(31-4-2)20-26-21-19(22(29)27-20)25-24(32-16-18-13-9-6-10-14-18)28(21)15-17-11-7-5-8-12-17/h5-14,23H,3-4,15-16H2,1-2H3,(H,26,27,29)