ethyl 4-[[2-[(4-morpholin-4-ylphenyl)amino]-7H-purin-6-yl]amino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[[2-[(4-morpholin-4-ylphenyl)amino]-7H-purin-6-yl]amino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[2-(4-morpholinoanilino)-7H-purin-6-yl]amino]piperidine-1-carboxylate CAS Name: 4-[[2-[4-(4-morpholinyl)anilino]-7H-purin-6-yl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[2-(4-morpholin-4-ylanilino)-7H-purin-6-yl]amino]piperidine-1-carboxylate Traditional Name: 4-[[2-(4-morpholinoanilino)-7H-purin-6-yl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C23H30N8O3 MolecularWeight: 466.5361

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC2=NC(=NC3=C2NC=N3)NC4=CC=C(C=C4)N5CCOCC5

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC2=NC(=NC3=C2NC=N3)NC4=CC=C(C=C4)N5CCOCC5

InChI

InChI=1S/C23H30N8O3/c1-2-34-23(32)31-9-7-17(8-10-31)26-21-19-20(25-15-24-19)28-22(29-21)27-16-3-5-18(6-4-16)30-11-13-33-14-12-30/h3-6,15,17H,2,7-14H2,1H3,(H3,24,25,26,27,28,29)