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

Systemtic Name: 2-methyl-8-phenyl-N-(phenylmethyl)-9-[1-(phenylmethyl)pyrrolidin-3-yl]purin-6-amine Openeye Name: N-benzyl-9-(1-benzylpyrrolidin-3-yl)-2-methyl-8-phenyl-purin-6-amine CAS Name: 2-methyl-8-phenyl-N-(phenylmethyl)-9-[1-(phenylmethyl)-3-pyrrolidinyl]-6-purinamine IUPAC Name: N-benzyl-9-(1-benzylpyrrolidin-3-yl)-2-methyl-8-phenylpurin-6-amine Traditional Name: benzyl-[9-(1-benzylpyrrolidin-3-yl)-2-methyl-8-phenyl-purin-6-yl]amine Formula: C30H30N6 MolecularWeight: 474.5994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=N1)NCC3=CC=CC=C3)N=C(N2C4CCN(C4)CC5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

CC1=NC2=C(C(=N1)NCC3=CC=CC=C3)N=C(N2C4CCN(C4)CC5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C30H30N6/c1-22-32-28(31-19-23-11-5-2-6-12-23)27-30(33-22)36(29(34-27)25-15-9-4-10-16-25)26-17-18-35(21-26)20-24-13-7-3-8-14-24/h2-16,26H,17-21H2,1H3,(H,31,32,33)