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

Systemtic Name: 2-methyl-N,8-diphenyl-9-[1-(phenylmethyl)pyrrolidin-3-yl]purin-6-amine Openeye Name: 9-(1-benzylpyrrolidin-3-yl)-2-methyl-N,8-diphenyl-purin-6-amine CAS Name: 2-methyl-N,8-diphenyl-9-[1-(phenylmethyl)-3-pyrrolidinyl]-6-purinamine IUPAC Name: 9-(1-benzylpyrrolidin-3-yl)-2-methyl-N,8-diphenylpurin-6-amine Traditional Name: [9-(1-benzylpyrrolidin-3-yl)-2-methyl-8-phenyl-purin-6-yl]-phenyl-amine Formula: C29H28N6 MolecularWeight: 460.57282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=N1)NC3=CC=CC=C3)N=C(N2C4CCN(C4)CC5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

CC1=NC2=C(C(=N1)NC3=CC=CC=C3)N=C(N2C4CCN(C4)CC5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C29H28N6/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/h2-16,25H,17-20H2,1H3,(H,30,31,32)