3-methyl-8-phenylsulfanyl-7-propyl-purine-2,6-dione

Systemtic Name: 3-methyl-8-phenylsulfanyl-7-propyl-purine-2,6-dione Openeye Name: 3-methyl-8-phenylsulfanyl-7-propyl-purine-2,6-dione CAS Name: 3-methyl-8-(phenylthio)-7-propylpurine-2,6-dione IUPAC Name: 3-methyl-8-phenylsulfanyl-7-propylpurine-2,6-dione Traditional Name: 3-methyl-8-(phenylthio)-7-propyl-xanthine Formula: C15H16N4O2S MolecularWeight: 316.37814

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(N=C1SC3=CC=CC=C3)N(C(=O)NC2=O)C

Isomeric SMILES

CCCN1C2=C(N=C1SC3=CC=CC=C3)N(C(=O)NC2=O)C

InChI

InChI=1S/C15H16N4O2S/c1-3-9-19-11-12(18(2)14(21)17-13(11)20)16-15(19)22-10-7-5-4-6-8-10/h4-8H,3,9H2,1-2H3,(H,17,20,21)