2-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)-N-(2,3-dihydro-1H-inden-2-yl)-7H-purin-6-amine

Systemtic Name: 2-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)-N-(2,3-dihydro-1H-inden-2-yl)-7H-purin-6-amine Openeye Name: 2-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-N-indan-2-yl-7H-purin-6-amine CAS Name: 2-(4-bromo-3,5-dimethyl-1-pyrazolyl)-N-(2,3-dihydro-1H-inden-2-yl)-7H-purin-6-amine IUPAC Name: 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(2,3-dihydro-1H-inden-2-yl)-7H-purin-6-amine Traditional Name: [2-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-7H-purin-6-yl]-indan-2-yl-amine Formula: C19H18BrN7 MolecularWeight: 424.29712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=NC3=C(C(=N2)NC4CC5=CC=CC=C5C4)NC=N3)C)Br

Isomeric SMILES

CC1=C(C(=NN1C2=NC3=C(C(=N2)NC4CC5=CC=CC=C5C4)NC=N3)C)Br

InChI

InChI=1S/C19H18BrN7/c1-10-15(20)11(2)27(26-10)19-24-17-16(21-9-22-17)18(25-19)23-14-7-12-5-3-4-6-13(12)8-14/h3-6,9,14H,7-8H2,1-2H3,(H2,21,22,23,24,25)