3-butyl-7-ethyl-8-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]purine-2,6-dione

Systemtic Name: 3-butyl-7-ethyl-8-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]purine-2,6-dione Openeye Name: 3-butyl-7-ethyl-8-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]purine-2,6-dione CAS Name: 3-butyl-7-ethyl-8-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]purine-2,6-dione IUPAC Name: 3-butyl-7-ethyl-8-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]purine-2,6-dione Traditional Name: 3-butyl-7-ethyl-8-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]xanthine Formula: C15H20N6O2S2 MolecularWeight: 380.4883

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CSC3=NN=C(S3)C)CC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CSC3=NN=C(S3)C)CC

InChI

InChI=1S/C15H20N6O2S2/c1-4-6-7-21-12-11(13(22)17-14(21)23)20(5-2)10(16-12)8-24-15-19-18-9(3)25-15/h4-8H2,1-3H3,(H,17,22,23)