1-(1,3-benzothiazol-2-yl)-3-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]urea

Systemtic Name: 1-(1,3-benzothiazol-2-yl)-3-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]urea Openeye Name: 1-(1,3-benzothiazol-2-yl)-3-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]urea CAS Name: 1-(1,3-benzothiazol-2-yl)-3-[3-[4-(2-pyrimidinyl)-1-piperazinyl]propyl]urea IUPAC Name: 1-(1,3-benzothiazol-2-yl)-3-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]urea Traditional Name: 1-(1,3-benzothiazol-2-yl)-3-[3-[4-(2-pyrimidyl)piperazino]propyl]urea Formula: C19H23N7OS MolecularWeight: 397.49722

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCNC(=O)NC2=NC3=CC=CC=C3S2)C4=NC=CC=N4

Isomeric SMILES

C1CN(CCN1CCCNC(=O)NC2=NC3=CC=CC=C3S2)C4=NC=CC=N4

InChI

InChI=1S/C19H23N7OS/c27-18(24-19-23-15-5-1-2-6-16(15)28-19)22-9-4-10-25-11-13-26(14-12-25)17-20-7-3-8-21-17/h1-3,5-8H,4,9-14H2,(H2,22,23,24,27)