1-[3-[2-(diphenylmethyl)oxyethylsulfanyl]propyl]-3,7-dimethyl-purine-2,6-dione

Systemtic Name: 1-[3-[2-(diphenylmethyl)oxyethylsulfanyl]propyl]-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-[3-(2-benzhydryloxyethylsulfanyl)propyl]-3,7-dimethyl-purine-2,6-dione CAS Name: 1-[3-[2-(diphenylmethyl)oxyethylthio]propyl]-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-[3-(2-benzhydryloxyethylsulfanyl)propyl]-3,7-dimethylpurine-2,6-dione Traditional Name: 1-[3-(2-benzhydryloxyethylthio)propyl]-3,7-dimethyl-xanthine Formula: C25H28N4O3S MolecularWeight: 464.57982

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCSCCOC(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCSCCOC(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H28N4O3S/c1-27-18-26-23-21(27)24(30)29(25(31)28(23)2)14-9-16-33-17-15-32-22(19-10-5-3-6-11-19)20-12-7-4-8-13-20/h3-8,10-13,18,22H,9,14-17H2,1-2H3