2,1,3-benzothiadiazol-5-yl-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone

Systemtic Name: 2,1,3-benzothiadiazol-5-yl-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone Openeye Name: 2,1,3-benzothiadiazol-5-yl-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone CAS Name: 2,1,3-benzothiadiazol-5-yl-[4-[6-(1-pyrrolidinyl)-4-pyrimidinyl]-1-piperazinyl]methanone IUPAC Name: 2,1,3-benzothiadiazol-5-yl-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone Traditional Name: piazthiol-5-yl-[4-(6-pyrrolidinopyrimidin-4-yl)piperazino]methanone Formula: C19H21N7OS MolecularWeight: 395.48134

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC(=NC=N2)N3CCN(CC3)C(=O)C4=CC5=NSN=C5C=C4

Isomeric SMILES

C1CCN(C1)C2=CC(=NC=N2)N3CCN(CC3)C(=O)C4=CC5=NSN=C5C=C4

InChI

InChI=1S/C19H21N7OS/c27-19(14-3-4-15-16(11-14)23-28-22-15)26-9-7-25(8-10-26)18-12-17(20-13-21-18)24-5-1-2-6-24/h3-4,11-13H,1-2,5-10H2