8-[(5-ethyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-1,3,7-trimethyl-purine-2,6-dione

Systemtic Name: 8-[(5-ethyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-1,3,7-trimethyl-purine-2,6-dione Openeye Name: 8-[(4-allyl-5-ethyl-1,2,4-triazol-3-yl)sulfanyl]-1,3,7-trimethyl-purine-2,6-dione CAS Name: 8-[(5-ethyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]-1,3,7-trimethylpurine-2,6-dione IUPAC Name: 8-[(5-ethyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-1,3,7-trimethylpurine-2,6-dione Traditional Name: 8-[(4-allyl-5-ethyl-1,2,4-triazol-3-yl)thio]-1,3,7-trimethyl-xanthine Formula: C15H19N7O2S MolecularWeight: 361.42206

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(N1CC=C)SC2=NC3=C(N2C)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CCC1=NN=C(N1CC=C)SC2=NC3=C(N2C)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C15H19N7O2S/c1-6-8-22-9(7-2)17-18-14(22)25-13-16-11-10(19(13)3)12(23)21(5)15(24)20(11)4/h6H,1,7-8H2,2-5H3