1-[3-(1,3-benzothiazol-2-ylmethylsulfanyl)propyl]-3,7-dimethyl-purine-2,6-dione

Systemtic Name: 1-[3-(1,3-benzothiazol-2-ylmethylsulfanyl)propyl]-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-[3-(1,3-benzothiazol-2-ylmethylsulfanyl)propyl]-3,7-dimethyl-purine-2,6-dione CAS Name: 1-[3-(1,3-benzothiazol-2-ylmethylthio)propyl]-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-[3-(1,3-benzothiazol-2-ylmethylsulfanyl)propyl]-3,7-dimethylpurine-2,6-dione Traditional Name: 1-[3-(1,3-benzothiazol-2-ylmethylthio)propyl]-3,7-dimethyl-xanthine Formula: C18H19N5O2S2 MolecularWeight: 401.50576

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCSCC3=NC4=CC=CC=C4S3

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCSCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C18H19N5O2S2/c1-21-11-19-16-15(21)17(24)23(18(25)22(16)2)8-5-9-26-10-14-20-12-6-3-4-7-13(12)27-14/h3-4,6-7,11H,5,8-10H2,1-2H3