8-(1,3-benzothiazol-2-yl)-9-butyl-1,3-dipropyl-purine-2,6-dione

Systemtic Name: 8-(1,3-benzothiazol-2-yl)-9-butyl-1,3-dipropyl-purine-2,6-dione Openeye Name: 8-(1,3-benzothiazol-2-yl)-9-butyl-1,3-dipropyl-purine-2,6-dione CAS Name: 8-(1,3-benzothiazol-2-yl)-9-butyl-1,3-dipropylpurine-2,6-dione IUPAC Name: 8-(1,3-benzothiazol-2-yl)-9-butyl-1,3-dipropylpurine-2,6-dione Traditional Name: 8-(1,3-benzothiazol-2-yl)-9-butyl-1,3-dipropyl-xanthine Formula: C22H27N5O2S MolecularWeight: 425.54708

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)N(C(=O)N2CCC)CCC)N=C1C3=NC4=CC=CC=C4S3

Isomeric SMILES

CCCCN1C2=C(C(=O)N(C(=O)N2CCC)CCC)N=C1C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H27N5O2S/c1-4-7-14-25-18(19-23-15-10-8-9-11-16(15)30-19)24-17-20(25)26(12-5-2)22(29)27(13-6-3)21(17)28/h8-11H,4-7,12-14H2,1-3H3