3-butyl-7-ethyl-8-(1,3,4-thiadiazol-2-ylsulfanylmethyl)purine-2,6-dione

Systemtic Name: 3-butyl-7-ethyl-8-(1,3,4-thiadiazol-2-ylsulfanylmethyl)purine-2,6-dione Openeye Name: 3-butyl-7-ethyl-8-(1,3,4-thiadiazol-2-ylsulfanylmethyl)purine-2,6-dione CAS Name: 3-butyl-7-ethyl-8-[(1,3,4-thiadiazol-2-ylthio)methyl]purine-2,6-dione IUPAC Name: 3-butyl-7-ethyl-8-(1,3,4-thiadiazol-2-ylsulfanylmethyl)purine-2,6-dione Traditional Name: 3-butyl-7-ethyl-8-[(1,3,4-thiadiazol-2-ylthio)methyl]xanthine Formula: C14H18N6O2S2 MolecularWeight: 366.46172

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CSC3=NN=CS3)CC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CSC3=NN=CS3)CC

InChI

InChI=1S/C14H18N6O2S2/c1-3-5-6-20-11-10(12(21)17-13(20)22)19(4-2)9(16-11)7-23-14-18-15-8-24-14/h8H,3-7H2,1-2H3,(H,17,21,22)