N-butyl-9-[3-(dimethylamino)propyl]-2-methyl-8-phenyl-purin-6-amine

Systemtic Name: N-butyl-9-[3-(dimethylamino)propyl]-2-methyl-8-phenyl-purin-6-amine Openeye Name: N-butyl-9-[3-(dimethylamino)propyl]-2-methyl-8-phenyl-purin-6-amine CAS Name: N-butyl-9-[3-(dimethylamino)propyl]-2-methyl-8-phenyl-6-purinamine IUPAC Name: N-butyl-9-[3-(dimethylamino)propyl]-2-methyl-8-phenylpurin-6-amine Traditional Name: 3-[6-(butylamino)-2-methyl-8-phenyl-purin-9-yl]propyl-dimethyl-amine Formula: C21H30N6 MolecularWeight: 366.5031

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC(=NC2=C1N=C(N2CCCN(C)C)C3=CC=CC=C3)C

Isomeric SMILES

CCCCNC1=NC(=NC2=C1N=C(N2CCCN(C)C)C3=CC=CC=C3)C

InChI

InChI=1S/C21H30N6/c1-5-6-13-22-19-18-21(24-16(2)23-19)27(15-10-14-26(3)4)20(25-18)17-11-8-7-9-12-17/h7-9,11-12H,5-6,10,13-15H2,1-4H3,(H,22,23,24)