N6-[1-(4-fluorophenyl)-2-methyl-propan-2-yl]-N2-(2-methyl-1,3-benzothiazol-5-yl)-7H-purine-2,6-diamine

Systemtic Name: N6-[1-(4-fluorophenyl)-2-methyl-propan-2-yl]-N2-(2-methyl-1,3-benzothiazol-5-yl)-7H-purine-2,6-diamine Openeye Name: N6-[2-(4-fluorophenyl)-1,1-dimethyl-ethyl]-N2-(2-methyl-1,3-benzothiazol-5-yl)-7H-purine-2,6-diamine CAS Name: N6-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-N2-(2-methyl-1,3-benzothiazol-5-yl)-7H-purine-2,6-diamine IUPAC Name: 6-N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-2-N-(2-methyl-1,3-benzothiazol-5-yl)-7H-purine-2,6-diamine Traditional Name: [2-(4-fluorophenyl)-1,1-dimethyl-ethyl]-[2-[(2-methyl-1,3-benzothiazol-5-yl)amino]-7H-purin-6-yl]amine Formula: C23H22FN7S MolecularWeight: 447.531083

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=CC(=C2)NC3=NC4=C(C(=N3)NC(C)(C)CC5=CC=C(C=C5)F)NC=N4

Isomeric SMILES

CC1=NC2=C(S1)C=CC(=C2)NC3=NC4=C(C(=N3)NC(C)(C)CC5=CC=C(C=C5)F)NC=N4

InChI

InChI=1S/C23H22FN7S/c1-13-27-17-10-16(8-9-18(17)32-13)28-22-29-20-19(25-12-26-20)21(30-22)31-23(2,3)11-14-4-6-15(24)7-5-14/h4-10,12H,11H2,1-3H3,(H3,25,26,28,29,30,31)