N2-(4-morpholin-4-ylphenyl)-N6-[1-(2-phenylpropyl)piperidin-4-yl]-7H-purine-2,6-diamine

Systemtic Name: N2-(4-morpholin-4-ylphenyl)-N6-[1-(2-phenylpropyl)piperidin-4-yl]-7H-purine-2,6-diamine Openeye Name: N2-(4-morpholinophenyl)-N6-[1-(2-phenylpropyl)-4-piperidyl]-7H-purine-2,6-diamine CAS Name: N2-[4-(4-morpholinyl)phenyl]-N6-[1-(2-phenylpropyl)-4-piperidinyl]-7H-purine-2,6-diamine IUPAC Name: 2-N-(4-morpholin-4-ylphenyl)-6-N-[1-(2-phenylpropyl)piperidin-4-yl]-7H-purine-2,6-diamine Traditional Name: [2-(4-morpholinoanilino)-7H-purin-6-yl]-[1-(2-phenylpropyl)-4-piperidyl]amine Formula: C29H36N8O MolecularWeight: 512.64914

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1CCC(CC1)NC2=NC(=NC3=C2NC=N3)NC4=CC=C(C=C4)N5CCOCC5)C6=CC=CC=C6

Isomeric SMILES

CC(CN1CCC(CC1)NC2=NC(=NC3=C2NC=N3)NC4=CC=C(C=C4)N5CCOCC5)C6=CC=CC=C6

InChI

InChI=1S/C29H36N8O/c1-21(22-5-3-2-4-6-22)19-36-13-11-24(12-14-36)32-28-26-27(31-20-30-26)34-29(35-28)33-23-7-9-25(10-8-23)37-15-17-38-18-16-37/h2-10,20-21,24H,11-19H2,1H3,(H3,30,31,32,33,34,35)