[4-[[2-(3-morpholin-4-ylpropylamino)-9-phenyl-purin-6-yl]amino]phenyl]-piperidin-1-yl-methanone

Systemtic Name: [4-[[2-(3-morpholin-4-ylpropylamino)-9-phenyl-purin-6-yl]amino]phenyl]-piperidin-1-yl-methanone Openeye Name: [4-[[2-(3-morpholinopropylamino)-9-phenyl-purin-6-yl]amino]phenyl]-(1-piperidyl)methanone CAS Name: [4-[[2-[3-(4-morpholinyl)propylamino]-9-phenyl-6-purinyl]amino]phenyl]-(1-piperidinyl)methanone IUPAC Name: [4-[[2-(3-morpholin-4-ylpropylamino)-9-phenylpurin-6-yl]amino]phenyl]-piperidin-1-ylmethanone Traditional Name: [4-[[2-(3-morpholinopropylamino)-9-phenyl-purin-6-yl]amino]phenyl]-piperidino-methanone Formula: C30H36N8O2 MolecularWeight: 540.65924

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C2=CC=C(C=C2)NC3=NC(=NC4=C3N=CN4C5=CC=CC=C5)NCCCN6CCOCC6

Isomeric SMILES

C1CCN(CC1)C(=O)C2=CC=C(C=C2)NC3=NC(=NC4=C3N=CN4C5=CC=CC=C5)NCCCN6CCOCC6

InChI

InChI=1S/C30H36N8O2/c39-29(37-16-5-2-6-17-37)23-10-12-24(13-11-23)33-27-26-28(38(22-32-26)25-8-3-1-4-9-25)35-30(34-27)31-14-7-15-36-18-20-40-21-19-36/h1,3-4,8-13,22H,2,5-7,14-21H2,(H2,31,33,34,35)