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

Systemtic Name: 3-butyl-7-ethyl-8-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]purine-2,6-dione Openeye Name: 3-butyl-7-ethyl-8-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]purine-2,6-dione CAS Name: 3-butyl-7-ethyl-8-[[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]purine-2,6-dione IUPAC Name: 3-butyl-7-ethyl-8-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]purine-2,6-dione Traditional Name: 3-butyl-7-ethyl-8-[[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]xanthine Formula: C16H23N7O2S2 MolecularWeight: 409.52952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N7O2S2/c1-4-7-8-23-12-11(13(24)19-15(23)25)22(6-3)10(18-12)9-26-16-21-20-14(27-16)17-5-2/h4-9H2,1-3H3,(H,17,20)(H,19,24,25)