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

Systemtic Name: 3-butyl-7-methyl-8-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]purine-2,6-dione Openeye Name: 3-butyl-7-methyl-8-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]purine-2,6-dione CAS Name: 3-butyl-7-methyl-8-[[(5-phenyl-1,3,4-oxadiazol-2-yl)thio]methyl]purine-2,6-dione IUPAC Name: 3-butyl-7-methyl-8-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]purine-2,6-dione Traditional Name: 3-butyl-7-methyl-8-[[(5-phenyl-1,3,4-oxadiazol-2-yl)thio]methyl]xanthine Formula: C19H20N6O3S MolecularWeight: 412.4655

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CSC3=NN=C(O3)C4=CC=CC=C4)C

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CSC3=NN=C(O3)C4=CC=CC=C4)C

InChI

InChI=1S/C19H20N6O3S/c1-3-4-10-25-15-14(16(26)21-18(25)27)24(2)13(20-15)11-29-19-23-22-17(28-19)12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3,(H,21,26,27)