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

Systemtic Name: 8-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-3-butyl-7-propyl-purine-2,6-dione Openeye Name: 8-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-3-butyl-7-propyl-purine-2,6-dione CAS Name: 8-[[(5-amino-1,3,4-thiadiazol-2-yl)thio]methyl]-3-butyl-7-propylpurine-2,6-dione IUPAC Name: 8-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-3-butyl-7-propylpurine-2,6-dione Traditional Name: 8-[[(5-amino-1,3,4-thiadiazol-2-yl)thio]methyl]-3-butyl-7-propyl-xanthine Formula: C15H21N7O2S2 MolecularWeight: 395.50294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N7O2S2/c1-3-5-7-22-11-10(12(23)18-14(22)24)21(6-4-2)9(17-11)8-25-15-20-19-13(16)26-15/h3-8H2,1-2H3,(H2,16,19)(H,18,23,24)