N-cyclohexyl-2-methyl-8-phenyl-9-[1-(phenylmethyl)pyrrolidin-3-yl]purin-6-amine

Systemtic Name: N-cyclohexyl-2-methyl-8-phenyl-9-[1-(phenylmethyl)pyrrolidin-3-yl]purin-6-amine Openeye Name: 9-(1-benzylpyrrolidin-3-yl)-N-cyclohexyl-2-methyl-8-phenyl-purin-6-amine CAS Name: N-cyclohexyl-2-methyl-8-phenyl-9-[1-(phenylmethyl)-3-pyrrolidinyl]-6-purinamine IUPAC Name: 9-(1-benzylpyrrolidin-3-yl)-N-cyclohexyl-2-methyl-8-phenylpurin-6-amine Traditional Name: [9-(1-benzylpyrrolidin-3-yl)-2-methyl-8-phenyl-purin-6-yl]-cyclohexyl-amine Formula: C29H34N6 MolecularWeight: 466.62046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=N1)NC3CCCCC3)N=C(N2C4CCN(C4)CC5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

CC1=NC2=C(C(=N1)NC3CCCCC3)N=C(N2C4CCN(C4)CC5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C29H34N6/c1-21-30-27(32-24-15-9-4-10-16-24)26-29(31-21)35(28(33-26)23-13-7-3-8-14-23)25-17-18-34(20-25)19-22-11-5-2-6-12-22/h2-3,5-8,11-14,24-25H,4,9-10,15-20H2,1H3,(H,30,31,32)