3-[(3-chlorophenyl)methyl]-N-ethyl-8-propan-2-yl-purin-6-amine

Systemtic Name: 3-[(3-chlorophenyl)methyl]-N-ethyl-8-propan-2-yl-purin-6-amine Openeye Name: 3-[(3-chlorophenyl)methyl]-N-ethyl-8-isopropyl-purin-6-amine CAS Name: 3-[(3-chlorophenyl)methyl]-N-ethyl-8-propan-2-yl-6-purinamine IUPAC Name: 3-[(3-chlorophenyl)methyl]-N-ethyl-8-propan-2-ylpurin-6-amine Traditional Name: [3-(3-chlorobenzyl)-8-isopropyl-purin-6-yl]-ethyl-amine Formula: C17H20ClN5 MolecularWeight: 329.8272

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C2C(=NC(=N2)C(C)C)N(C=N1)CC3=CC(=CC=C3)Cl

Isomeric SMILES

CCNC1=C2C(=NC(=N2)C(C)C)N(C=N1)CC3=CC(=CC=C3)Cl

InChI

InChI=1S/C17H20ClN5/c1-4-19-16-14-17(22-15(21-14)11(2)3)23(10-20-16)9-12-6-5-7-13(18)8-12/h5-8,10-11,19H,4,9H2,1-3H3