7-[4-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-4-oxidanylidene-butyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[4-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-4-oxidanylidene-butyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[4-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-4-oxo-butyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[4-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazinyl]-4-oxobutyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[4-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-4-oxobutyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[4-[4-(1,3-benzothiazol-2-ylmethyl)piperazino]-4-keto-butyl]-1,3-dimethyl-xanthine Formula: C23H27N7O3S MolecularWeight: 481.57058

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCC(=O)N3CCN(CC3)CC4=NC5=CC=CC=C5S4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCC(=O)N3CCN(CC3)CC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C23H27N7O3S/c1-26-21-20(22(32)27(2)23(26)33)30(15-24-21)9-5-8-19(31)29-12-10-28(11-13-29)14-18-25-16-6-3-4-7-17(16)34-18/h3-4,6-7,15H,5,8-14H2,1-2H3