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

Systemtic Name: 1-[2-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-oxidanylidene-ethyl]-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-[2-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-oxo-ethyl]-3,7-dimethyl-purine-2,6-dione CAS Name: 1-[2-[2-(1,3-benzothiazol-2-yl)-1-pyrrolidinyl]-2-oxoethyl]-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-[2-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-3,7-dimethylpurine-2,6-dione Traditional Name: 1-[2-[2-(1,3-benzothiazol-2-yl)pyrrolidino]-2-keto-ethyl]-3,7-dimethyl-xanthine Formula: C20H20N6O3S MolecularWeight: 424.4762

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CC(=O)N3CCCC3C4=NC5=CC=CC=C5S4

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CC(=O)N3CCCC3C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C20H20N6O3S/c1-23-11-21-17-16(23)19(28)26(20(29)24(17)2)10-15(27)25-9-5-7-13(25)18-22-12-6-3-4-8-14(12)30-18/h3-4,6,8,11,13H,5,7,9-10H2,1-2H3