2-[4-[4-(5-phenylpyrimidin-2-yl)piperazin-1-yl]butyl]-3H-1,2-benzothiazole

Systemtic Name: 2-[4-[4-(5-phenylpyrimidin-2-yl)piperazin-1-yl]butyl]-3H-1,2-benzothiazole Openeye Name: 2-[4-[4-(5-phenylpyrimidin-2-yl)piperazin-1-yl]butyl]-3H-1,2-benzothiazole CAS Name: 2-[4-[4-(5-phenyl-2-pyrimidinyl)-1-piperazinyl]butyl]-3H-1,2-benzothiazole IUPAC Name: 2-[4-[4-(5-phenylpyrimidin-2-yl)piperazin-1-yl]butyl]-3H-1,2-benzothiazole Traditional Name: 2-[4-[4-(5-phenylpyrimidin-2-yl)piperazino]butyl]-3H-1,2-benzothiazole Formula: C25H29N5S MolecularWeight: 431.59626

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCN2CC3=CC=CC=C3S2)C4=NC=C(C=N4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CCCCN2CC3=CC=CC=C3S2)C4=NC=C(C=N4)C5=CC=CC=C5

InChI

InChI=1S/C25H29N5S/c1-2-8-21(9-3-1)23-18-26-25(27-19-23)29-16-14-28(15-17-29)12-6-7-13-30-20-22-10-4-5-11-24(22)31-30/h1-5,8-11,18-19H,6-7,12-17,20H2