N-[6-(4-pyridin-3-ylpiperazin-1-yl)-7H-purin-2-yl]-1,3-benzothiazol-6-amine

Systemtic Name: N-[6-(4-pyridin-3-ylpiperazin-1-yl)-7H-purin-2-yl]-1,3-benzothiazol-6-amine Openeye Name: N-[6-[4-(3-pyridyl)piperazin-1-yl]-7H-purin-2-yl]-1,3-benzothiazol-6-amine CAS Name: N-[6-[4-(3-pyridinyl)-1-piperazinyl]-7H-purin-2-yl]-1,3-benzothiazol-6-amine IUPAC Name: N-[6-(4-pyridin-3-ylpiperazin-1-yl)-7H-purin-2-yl]-1,3-benzothiazol-6-amine Traditional Name: 1,3-benzothiazol-6-yl-[6-[4-(3-pyridyl)piperazino]-7H-purin-2-yl]amine Formula: C21H19N9S MolecularWeight: 429.50086

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CN=CC=C2)C3=NC(=NC4=C3NC=N4)NC5=CC6=C(C=C5)N=CS6

Isomeric SMILES

C1CN(CCN1C2=CN=CC=C2)C3=NC(=NC4=C3NC=N4)NC5=CC6=C(C=C5)N=CS6

InChI

InChI=1S/C21H19N9S/c1-2-15(11-22-5-1)29-6-8-30(9-7-29)20-18-19(24-12-23-18)27-21(28-20)26-14-3-4-16-17(10-14)31-13-25-16/h1-5,10-13H,6-9H2,(H2,23,24,26,27,28)