N-(4-butylphenyl)-9-(4-chlorophenyl)purin-6-amine

Systemtic Name: N-(4-butylphenyl)-9-(4-chlorophenyl)purin-6-amine Openeye Name: N-(4-butylphenyl)-9-(4-chlorophenyl)purin-6-amine CAS Name: N-(4-butylphenyl)-9-(4-chlorophenyl)-6-purinamine IUPAC Name: N-(4-butylphenyl)-9-(4-chlorophenyl)purin-6-amine Traditional Name: (4-butylphenyl)-[9-(4-chlorophenyl)purin-6-yl]amine Formula: C21H20ClN5 MolecularWeight: 377.87

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC2=NC=NC3=C2N=CN3C4=CC=C(C=C4)Cl

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=NC=NC3=C2N=CN3C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H20ClN5/c1-2-3-4-15-5-9-17(10-6-15)26-20-19-21(24-13-23-20)27(14-25-19)18-11-7-16(22)8-12-18/h5-14H,2-4H2,1H3,(H,23,24,26)