N-[4-[[6-(3-hydroxyphenyl)-2-morpholin-4-yl-purin-9-yl]methyl]phenyl]-3-piperidin-1-yl-propanamide

Systemtic Name: N-[4-[[6-(3-hydroxyphenyl)-2-morpholin-4-yl-purin-9-yl]methyl]phenyl]-3-piperidin-1-yl-propanamide Openeye Name: N-[4-[[6-(3-hydroxyphenyl)-2-morpholino-purin-9-yl]methyl]phenyl]-3-(1-piperidyl)propanamide CAS Name: N-[4-[[6-(3-hydroxyphenyl)-2-(4-morpholinyl)-9-purinyl]methyl]phenyl]-3-(1-piperidinyl)propanamide IUPAC Name: N-[4-[[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]methyl]phenyl]-3-piperidin-1-ylpropanamide Traditional Name: N-[4-[[6-(3-hydroxyphenyl)-2-morpholino-purin-9-yl]methyl]phenyl]-3-piperidino-propionamide Formula: C30H35N7O3 MolecularWeight: 541.644

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCC(=O)NC2=CC=C(C=C2)CN3C=NC4=C(N=C(N=C43)N5CCOCC5)C6=CC(=CC=C6)O

Isomeric SMILES

C1CCN(CC1)CCC(=O)NC2=CC=C(C=C2)CN3C=NC4=C(N=C(N=C43)N5CCOCC5)C6=CC(=CC=C6)O

InChI

InChI=1S/C30H35N7O3/c38-25-6-4-5-23(19-25)27-28-29(34-30(33-27)36-15-17-40-18-16-36)37(21-31-28)20-22-7-9-24(10-8-22)32-26(39)11-14-35-12-2-1-3-13-35/h4-10,19,21,38H,1-3,11-18,20H2,(H,32,39)