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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=C(N=C1SC3=NC4=CC=CC=C4S3)N(C(=O)NC2=O)C

Isomeric SMILES

CC(C)CCN1C2=C(N=C1SC3=NC4=CC=CC=C4S3)N(C(=O)NC2=O)C

InChI

InChI=1S/C18H19N5O2S2/c1-10(2)8-9-23-13-14(22(3)16(25)21-15(13)24)20-17(23)27-18-19-11-6-4-5-7-12(11)26-18/h4-7,10H,8-9H2,1-3H3,(H,21,24,25)