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

Systemtic Name: 1,3-dimethyl-8-pentylsulfanyl-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-1,3-dimethyl-8-pentylsulfanyl-purine-2,6-dione CAS Name: 1,3-dimethyl-8-(pentylthio)-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-1,3-dimethyl-8-pentylsulfanylpurine-2,6-dione Traditional Name: 8-(amylthio)-7-benzyl-1,3-dimethyl-xanthine Formula: C19H24N4O2S MolecularWeight: 372.48446

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=NC2=C(N1CC3=CC=CC=C3)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCCCCSC1=NC2=C(N1CC3=CC=CC=C3)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C19H24N4O2S/c1-4-5-9-12-26-18-20-16-15(17(24)22(3)19(25)21(16)2)23(18)13-14-10-7-6-8-11-14/h6-8,10-11H,4-5,9,12-13H2,1-3H3