6-(2,4-dimethoxypyrimidin-5-yl)-2-(3-pyrrolidin-1-ylcyclobutyl)-1,3-benzothiazole

Systemtic Name: 6-(2,4-dimethoxypyrimidin-5-yl)-2-(3-pyrrolidin-1-ylcyclobutyl)-1,3-benzothiazole Openeye Name: 6-(2,4-dimethoxypyrimidin-5-yl)-2-(3-pyrrolidin-1-ylcyclobutyl)-1,3-benzothiazole CAS Name: 6-(2,4-dimethoxy-5-pyrimidinyl)-2-[3-(1-pyrrolidinyl)cyclobutyl]-1,3-benzothiazole IUPAC Name: 6-(2,4-dimethoxypyrimidin-5-yl)-2-(3-pyrrolidin-1-ylcyclobutyl)-1,3-benzothiazole Traditional Name: 6-(2,4-dimethoxypyrimidin-5-yl)-2-(3-pyrrolidinocyclobutyl)-1,3-benzothiazole Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=NC=C1C2=CC3=C(C=C2)N=C(S3)C4CC(C4)N5CCCC5)OC

Isomeric SMILES

COC1=NC(=NC=C1C2=CC3=C(C=C2)N=C(S3)C4CC(C4)N5CCCC5)OC

InChI

InChI=1S/C21H24N4O2S/c1-26-19-16(12-22-21(24-19)27-2)13-5-6-17-18(11-13)28-20(23-17)14-9-15(10-14)25-7-3-4-8-25/h5-6,11-12,14-15H,3-4,7-10H2,1-2H3