1-methyl-7-(phenylmethyl)-8-propylsulfanyl-3H-purine-2,6-dione

Systemtic Name: 1-methyl-7-(phenylmethyl)-8-propylsulfanyl-3H-purine-2,6-dione Openeye Name: 7-benzyl-1-methyl-8-propylsulfanyl-3H-purine-2,6-dione CAS Name: 1-methyl-7-(phenylmethyl)-8-(propylthio)-3H-purine-2,6-dione IUPAC Name: 7-benzyl-1-methyl-8-propylsulfanyl-3H-purine-2,6-dione Traditional Name: 7-benzyl-1-methyl-8-(propylthio)xanthine Formula: C16H18N4O2S MolecularWeight: 330.40472

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC2=C(N1CC3=CC=CC=C3)C(=O)N(C(=O)N2)C

Isomeric SMILES

CCCSC1=NC2=C(N1CC3=CC=CC=C3)C(=O)N(C(=O)N2)C

InChI

InChI=1S/C16H18N4O2S/c1-3-9-23-16-18-13-12(14(21)19(2)15(22)17-13)20(16)10-11-7-5-4-6-8-11/h4-8H,3,9-10H2,1-2H3,(H,17,22)