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

Systemtic Name: N-butyl-2-methyl-8-phenyl-9-[1-(phenylmethyl)pyrrolidin-3-yl]purin-6-amine Openeye Name: 9-(1-benzylpyrrolidin-3-yl)-N-butyl-2-methyl-8-phenyl-purin-6-amine CAS Name: N-butyl-2-methyl-8-phenyl-9-[1-(phenylmethyl)-3-pyrrolidinyl]-6-purinamine IUPAC Name: 9-(1-benzylpyrrolidin-3-yl)-N-butyl-2-methyl-8-phenylpurin-6-amine Traditional Name: [9-(1-benzylpyrrolidin-3-yl)-2-methyl-8-phenyl-purin-6-yl]-butyl-amine Formula: C27H32N6 MolecularWeight: 440.58318

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC(=NC2=C1N=C(N2C3CCN(C3)CC4=CC=CC=C4)C5=CC=CC=C5)C

Isomeric SMILES

CCCCNC1=NC(=NC2=C1N=C(N2C3CCN(C3)CC4=CC=CC=C4)C5=CC=CC=C5)C

InChI

InChI=1S/C27H32N6/c1-3-4-16-28-25-24-27(30-20(2)29-25)33(26(31-24)22-13-9-6-10-14-22)23-15-17-32(19-23)18-21-11-7-5-8-12-21/h5-14,23H,3-4,15-19H2,1-2H3,(H,28,29,30)