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

Systemtic Name: 1-[2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-[2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-2-oxo-ethyl]-3,7-dimethyl-purine-2,6-dione CAS Name: 1-[2-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazinyl]-2-oxoethyl]-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-[2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-2-oxoethyl]-3,7-dimethylpurine-2,6-dione Traditional Name: 1-[2-[4-(1,3-benzothiazol-2-ylmethyl)piperazino]-2-keto-ethyl]-3,7-dimethyl-xanthine Formula: C21H23N7O3S MolecularWeight: 453.51742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CC(=O)N3CCN(CC3)CC4=NC5=CC=CC=C5S4

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CC(=O)N3CCN(CC3)CC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C21H23N7O3S/c1-24-13-22-19-18(24)20(30)28(21(31)25(19)2)12-17(29)27-9-7-26(8-10-27)11-16-23-14-5-3-4-6-15(14)32-16/h3-6,13H,7-12H2,1-2H3