1,3-dimethyl-7-[2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)thio]ethyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]purine-2,6-dione Traditional Name: 1,3-dimethyl-7-[2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)thio]ethyl]xanthine Formula: C18H19N7O2S MolecularWeight: 397.45416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2=CC=CC=C2)SCCN3C=NC4=C3C(=O)N(C(=O)N4C)C

Isomeric SMILES

CC1=NN=C(N1C2=CC=CC=C2)SCCN3C=NC4=C3C(=O)N(C(=O)N4C)C

InChI

InChI=1S/C18H19N7O2S/c1-12-20-21-17(25(12)13-7-5-4-6-8-13)28-10-9-24-11-19-15-14(24)16(26)23(3)18(27)22(15)2/h4-8,11H,9-10H2,1-3H3