8-butylsulfanyl-1,3-dimethyl-7-(phenylmethyl)purine-2,6-dione

Systemtic Name: 8-butylsulfanyl-1,3-dimethyl-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-8-butylsulfanyl-1,3-dimethyl-purine-2,6-dione CAS Name: 8-(butylthio)-1,3-dimethyl-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-8-butylsulfanyl-1,3-dimethylpurine-2,6-dione Traditional Name: 7-benzyl-8-(butylthio)-1,3-dimethyl-xanthine Formula: C18H22N4O2S MolecularWeight: 358.45788

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC2=C(N1CC3=CC=CC=C3)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCCCSC1=NC2=C(N1CC3=CC=CC=C3)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C18H22N4O2S/c1-4-5-11-25-17-19-15-14(16(23)21(3)18(24)20(15)2)22(17)12-13-9-7-6-8-10-13/h6-10H,4-5,11-12H2,1-3H3