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

Systemtic Name: 2-methyl-N-[6-(4-pyridin-2-ylpiperazin-1-yl)-7H-purin-2-yl]-1,3-benzothiazol-6-amine Openeye Name: 2-methyl-N-[6-[4-(2-pyridyl)piperazin-1-yl]-7H-purin-2-yl]-1,3-benzothiazol-6-amine CAS Name: 2-methyl-N-[6-[4-(2-pyridinyl)-1-piperazinyl]-7H-purin-2-yl]-1,3-benzothiazol-6-amine IUPAC Name: 2-methyl-N-[6-(4-pyridin-2-ylpiperazin-1-yl)-7H-purin-2-yl]-1,3-benzothiazol-6-amine Traditional Name: (2-methyl-1,3-benzothiazol-6-yl)-[6-[4-(2-pyridyl)piperazino]-7H-purin-2-yl]amine Formula: C22H21N9S MolecularWeight: 443.52744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=C(C=C2)NC3=NC4=C(C(=N3)N5CCN(CC5)C6=CC=CC=N6)NC=N4

Isomeric SMILES

CC1=NC2=C(S1)C=C(C=C2)NC3=NC4=C(C(=N3)N5CCN(CC5)C6=CC=CC=N6)NC=N4

InChI

InChI=1S/C22H21N9S/c1-14-26-16-6-5-15(12-17(16)32-14)27-22-28-20-19(24-13-25-20)21(29-22)31-10-8-30(9-11-31)18-4-2-3-7-23-18/h2-7,12-13H,8-11H2,1H3,(H2,24,25,27,28,29)