N-cyclohexyl-9-(2-dimethylaminoethyl)-2-methyl-8-phenyl-purin-6-amine

Systemtic Name: N-cyclohexyl-9-(2-dimethylaminoethyl)-2-methyl-8-phenyl-purin-6-amine Openeye Name: N-cyclohexyl-9-(2-dimethylaminoethyl)-2-methyl-8-phenyl-purin-6-amine CAS Name: N-cyclohexyl-9-(2-dimethylaminoethyl)-2-methyl-8-phenyl-6-purinamine IUPAC Name: N-cyclohexyl-9-(2-dimethylaminoethyl)-2-methyl-8-phenylpurin-6-amine Traditional Name: 2-[6-(cyclohexylamino)-2-methyl-8-phenyl-purin-9-yl]ethyl-dimethyl-amine Formula: C22H30N6 MolecularWeight: 378.5138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=N1)NC3CCCCC3)N=C(N2CCN(C)C)C4=CC=CC=C4

Isomeric SMILES

CC1=NC2=C(C(=N1)NC3CCCCC3)N=C(N2CCN(C)C)C4=CC=CC=C4

InChI

InChI=1S/C22H30N6/c1-16-23-20(25-18-12-8-5-9-13-18)19-22(24-16)28(15-14-27(2)3)21(26-19)17-10-6-4-7-11-17/h4,6-7,10-11,18H,5,8-9,12-15H2,1-3H3,(H,23,24,25)