8-(1,3-benzothiazol-2-ylsulfanyl)-3-methyl-7-pentyl-purine-2,6-dione

Systemtic Name: 8-(1,3-benzothiazol-2-ylsulfanyl)-3-methyl-7-pentyl-purine-2,6-dione Openeye Name: 8-(1,3-benzothiazol-2-ylsulfanyl)-3-methyl-7-pentyl-purine-2,6-dione CAS Name: 8-(1,3-benzothiazol-2-ylthio)-3-methyl-7-pentylpurine-2,6-dione IUPAC Name: 8-(1,3-benzothiazol-2-ylsulfanyl)-3-methyl-7-pentylpurine-2,6-dione Traditional Name: 7-amyl-8-(1,3-benzothiazol-2-ylthio)-3-methyl-xanthine Formula: C18H19N5O2S2 MolecularWeight: 401.50576

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=C(N=C1SC3=NC4=CC=CC=C4S3)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCN1C2=C(N=C1SC3=NC4=CC=CC=C4S3)N(C(=O)NC2=O)C

InChI

InChI=1S/C18H19N5O2S2/c1-3-4-7-10-23-13-14(22(2)16(25)21-15(13)24)20-17(23)27-18-19-11-8-5-6-9-12(11)26-18/h5-6,8-9H,3-4,7,10H2,1-2H3,(H,21,24,25)