N-[4-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-2-yl]-1,3-benzothiazol-6-amine

Systemtic Name: N-[4-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-2-yl]-1,3-benzothiazol-6-amine Openeye Name: N-[4-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-2-yl]-1,3-benzothiazol-6-amine CAS Name: N-[4-[4-(4-methyl-1-piperazinyl)phenyl]-2-pyrimidinyl]-1,3-benzothiazol-6-amine IUPAC Name: N-[4-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-2-yl]-1,3-benzothiazol-6-amine Traditional Name: 1,3-benzothiazol-6-yl-[4-[4-(4-methylpiperazino)phenyl]pyrimidin-2-yl]amine Formula: C22H22N6S MolecularWeight: 402.51528

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC=C(C=C2)C3=NC(=NC=C3)NC4=CC5=C(C=C4)N=CS5

Isomeric SMILES

CN1CCN(CC1)C2=CC=C(C=C2)C3=NC(=NC=C3)NC4=CC5=C(C=C4)N=CS5

InChI

InChI=1S/C22H22N6S/c1-27-10-12-28(13-11-27)18-5-2-16(3-6-18)19-8-9-23-22(26-19)25-17-4-7-20-21(14-17)29-15-24-20/h2-9,14-15H,10-13H2,1H3,(H,23,25,26)