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

Systemtic Name: 3-butyl-7-ethyl-8-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]purine-2,6-dione Openeye Name: 3-butyl-7-ethyl-8-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]purine-2,6-dione CAS Name: 3-butyl-7-ethyl-8-[[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]purine-2,6-dione IUPAC Name: 3-butyl-7-ethyl-8-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]purine-2,6-dione Traditional Name: 3-butyl-7-ethyl-8-[[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]xanthine Formula: C17H25N7O3S2 MolecularWeight: 439.5555

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N7O3S2/c1-4-6-8-24-13-12(14(25)20-16(24)26)23(5-2)11(19-13)10-28-17-22-21-15(29-17)18-7-9-27-3/h4-10H2,1-3H3,(H,18,21)(H,20,25,26)