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

Systemtic Name: 3-butyl-7-propyl-8-(1,3,4-thiadiazol-2-ylsulfanylmethyl)purine-2,6-dione Openeye Name: 3-butyl-7-propyl-8-(1,3,4-thiadiazol-2-ylsulfanylmethyl)purine-2,6-dione CAS Name: 3-butyl-7-propyl-8-[(1,3,4-thiadiazol-2-ylthio)methyl]purine-2,6-dione IUPAC Name: 3-butyl-7-propyl-8-(1,3,4-thiadiazol-2-ylsulfanylmethyl)purine-2,6-dione Traditional Name: 3-butyl-7-propyl-8-[(1,3,4-thiadiazol-2-ylthio)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=CS3)CCC

Isomeric SMILES

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

InChI

InChI=1S/C15H20N6O2S2/c1-3-5-7-21-12-11(13(22)18-14(21)23)20(6-4-2)10(17-12)8-24-15-19-16-9-25-15/h9H,3-8H2,1-2H3,(H,18,22,23)