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

Systemtic Name: 3-butyl-8-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-7-propyl-purine-2,6-dione Openeye Name: 3-butyl-8-[(4-phenyl-5-thioxo-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-7-propyl-purine-2,6-dione CAS Name: 3-butyl-8-[[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)thio]methyl]-7-propylpurine-2,6-dione IUPAC Name: 3-butyl-8-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-7-propylpurine-2,6-dione Traditional Name: 3-butyl-8-[[(4-phenyl-5-thioxo-1,3,4-thiadiazol-2-yl)thio]methyl]-7-propyl-xanthine Formula: C21H24N6O2S3 MolecularWeight: 488.64926

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CSC3=NN(C(=S)S3)C4=CC=CC=C4)CCC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CSC3=NN(C(=S)S3)C4=CC=CC=C4)CCC

InChI

InChI=1S/C21H24N6O2S3/c1-3-5-12-26-17-16(18(28)23-19(26)29)25(11-4-2)15(22-17)13-31-20-24-27(21(30)32-20)14-9-7-6-8-10-14/h6-10H,3-5,11-13H2,1-2H3,(H,23,28,29)