1-(1,3-benzothiazol-2-ylmethyl)-7-butyl-3-propyl-purine-2,6-dione

Systemtic Name: 1-(1,3-benzothiazol-2-ylmethyl)-7-butyl-3-propyl-purine-2,6-dione Openeye Name: 1-(1,3-benzothiazol-2-ylmethyl)-7-butyl-3-propyl-purine-2,6-dione CAS Name: 1-(1,3-benzothiazol-2-ylmethyl)-7-butyl-3-propylpurine-2,6-dione IUPAC Name: 1-(1,3-benzothiazol-2-ylmethyl)-7-butyl-3-propylpurine-2,6-dione Traditional Name: 1-(1,3-benzothiazol-2-ylmethyl)-7-butyl-3-propyl-xanthine Formula: C20H23N5O2S MolecularWeight: 397.49392

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=NC2=C1C(=O)N(C(=O)N2CCC)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

CCCCN1C=NC2=C1C(=O)N(C(=O)N2CCC)CC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H23N5O2S/c1-3-5-11-23-13-21-18-17(23)19(26)25(20(27)24(18)10-4-2)12-16-22-14-8-6-7-9-15(14)28-16/h6-9,13H,3-5,10-12H2,1-2H3