N-butyl-9-(2-diethylaminoethyl)-2-methyl-8-phenyl-purin-6-amine

Systemtic Name: N-butyl-9-(2-diethylaminoethyl)-2-methyl-8-phenyl-purin-6-amine Openeye Name: N-butyl-9-(2-diethylaminoethyl)-2-methyl-8-phenyl-purin-6-amine CAS Name: N-butyl-9-(2-diethylaminoethyl)-2-methyl-8-phenyl-6-purinamine IUPAC Name: N-butyl-9-(2-diethylaminoethyl)-2-methyl-8-phenylpurin-6-amine Traditional Name: 2-[6-(butylamino)-2-methyl-8-phenyl-purin-9-yl]ethyl-diethyl-amine Formula: C22H32N6 MolecularWeight: 380.52968

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC(=NC2=C1N=C(N2CCN(CC)CC)C3=CC=CC=C3)C

Isomeric SMILES

CCCCNC1=NC(=NC2=C1N=C(N2CCN(CC)CC)C3=CC=CC=C3)C

InChI

InChI=1S/C22H32N6/c1-5-8-14-23-20-19-22(25-17(4)24-20)28(16-15-27(6-2)7-3)21(26-19)18-12-10-9-11-13-18/h9-13H,5-8,14-16H2,1-4H3,(H,23,24,25)