1,3-benzothiazol-2-yl-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone

Systemtic Name: 1,3-benzothiazol-2-yl-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone Openeye Name: 1,3-benzothiazol-2-yl-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone CAS Name: 1,3-benzothiazol-2-yl-[4-[6-(1-pyrrolidinyl)-4-pyrimidinyl]-1-piperazinyl]methanone IUPAC Name: 1,3-benzothiazol-2-yl-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone Traditional Name: 1,3-benzothiazol-2-yl-[4-(6-pyrrolidinopyrimidin-4-yl)piperazino]methanone Formula: C20H22N6OS MolecularWeight: 394.49328

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC(=NC=N2)N3CCN(CC3)C(=O)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CCN(C1)C2=CC(=NC=N2)N3CCN(CC3)C(=O)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C20H22N6OS/c27-20(19-23-15-5-1-2-6-16(15)28-19)26-11-9-25(10-12-26)18-13-17(21-14-22-18)24-7-3-4-8-24/h1-2,5-6,13-14H,3-4,7-12H2