3-[(4-chlorophenyl)methyl]-8-propan-2-yl-purin-6-amine; 8-cyclopropyl-N-ethyl-3-propyl-purin-6-amine

Systemtic Name: 3-[(4-chlorophenyl)methyl]-8-propan-2-yl-purin-6-amine; 8-cyclopropyl-N-ethyl-3-propyl-purin-6-amine Openeye Name: 3-[(4-chlorophenyl)methyl]-8-isopropyl-purin-6-amine; 8-cyclopropyl-N-ethyl-3-propyl-purin-6-amine CAS Name: 3-[(4-chlorophenyl)methyl]-8-propan-2-yl-6-purinamine; 8-cyclopropyl-N-ethyl-3-propyl-6-purinamine IUPAC Name: 3-[(4-chlorophenyl)methyl]-8-propan-2-ylpurin-6-amine; 8-cyclopropyl-N-ethyl-3-propylpurin-6-amine Traditional Name: [3-(4-chlorobenzyl)-8-isopropyl-purin-6-yl]amine; (8-cyclopropyl-3-propyl-purin-6-yl)-ethyl-amine Formula: C28H35ClN10 MolecularWeight: 547.0975

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=NC(=C2C1=NC(=N2)C3CC3)NCC.CC(C)C1=NC2=C(N=CN(C2=N1)CC3=CC=C(C=C3)Cl)N

Isomeric SMILES

CCCN1C=NC(=C2C1=NC(=N2)C3CC3)NCC.CC(C)C1=NC2=C(N=CN(C2=N1)CC3=CC=C(C=C3)Cl)N

InChI

InChI=1S/C15H16ClN5.C13H19N5/c1-9(2)14-19-12-13(17)18-8-21(15(12)20-14)7-10-3-5-11(16)6-4-10;1-3-7-18-8-15-12(14-4-2)10-13(18)17-11(16-10)9-5-6-9/h3-6,8-9H,7,17H2,1-2H3;8-9,14H,3-7H2,1-2H3