1-[6-[(4-phenylphenyl)methylamino]-9-propan-2-yl-purin-2-yl]piperidine-4-carboxamide

Systemtic Name: 1-[6-[(4-phenylphenyl)methylamino]-9-propan-2-yl-purin-2-yl]piperidine-4-carboxamide Openeye Name: 1-[9-isopropyl-6-[(4-phenylphenyl)methylamino]purin-2-yl]piperidine-4-carboxamide CAS Name: 1-[6-[(4-phenylphenyl)methylamino]-9-propan-2-yl-2-purinyl]-4-piperidinecarboxamide IUPAC Name: 1-[6-[(4-phenylphenyl)methylamino]-9-propan-2-ylpurin-2-yl]piperidine-4-carboxamide Traditional Name: 1-[9-isopropyl-6-[(4-phenylbenzyl)amino]purin-2-yl]isonipecotamide Formula: C27H31N7O MolecularWeight: 469.58134

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NC2=C1N=C(N=C2NCC3=CC=C(C=C3)C4=CC=CC=C4)N5CCC(CC5)C(=O)N

Isomeric SMILES

CC(C)N1C=NC2=C1N=C(N=C2NCC3=CC=C(C=C3)C4=CC=CC=C4)N5CCC(CC5)C(=O)N

InChI

InChI=1S/C27H31N7O/c1-18(2)34-17-30-23-25(29-16-19-8-10-21(11-9-19)20-6-4-3-5-7-20)31-27(32-26(23)34)33-14-12-22(13-15-33)24(28)35/h3-11,17-18,22H,12-16H2,1-2H3,(H2,28,35)(H,29,31,32)