2-[4-[[2-(2-azanyl-4-methyl-pyrimidin-5-yl)-9-ethyl-6-morpholin-4-yl-purin-8-yl]methyl]piperazin-1-yl]-2-methyl-propanamide

Systemtic Name: 2-[4-[[2-(2-azanyl-4-methyl-pyrimidin-5-yl)-9-ethyl-6-morpholin-4-yl-purin-8-yl]methyl]piperazin-1-yl]-2-methyl-propanamide Openeye Name: 2-[4-[[2-(2-amino-4-methyl-pyrimidin-5-yl)-9-ethyl-6-morpholino-purin-8-yl]methyl]piperazin-1-yl]-2-methyl-propanamide CAS Name: 2-[4-[[2-(2-amino-4-methyl-5-pyrimidinyl)-9-ethyl-6-(4-morpholinyl)-8-purinyl]methyl]-1-piperazinyl]-2-methylpropanamide IUPAC Name: 2-[4-[[2-(2-amino-4-methylpyrimidin-5-yl)-9-ethyl-6-morpholin-4-ylpurin-8-yl]methyl]piperazin-1-yl]-2-methylpropanamide Traditional Name: 2-[4-[[2-(2-amino-4-methyl-pyrimidin-5-yl)-9-ethyl-6-morpholino-purin-8-yl]methyl]piperazino]-2-methyl-propionamide Formula: C25H37N11O2 MolecularWeight: 523.63378

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NC2=C1N=C(N=C2N3CCOCC3)C4=CN=C(N=C4C)N)CN5CCN(CC5)C(C)(C)C(=O)N

Isomeric SMILES

CCN1C(=NC2=C1N=C(N=C2N3CCOCC3)C4=CN=C(N=C4C)N)CN5CCN(CC5)C(C)(C)C(=O)N

InChI

InChI=1S/C25H37N11O2/c1-5-36-18(15-33-6-8-35(9-7-33)25(3,4)23(26)37)30-19-21(34-10-12-38-13-11-34)31-20(32-22(19)36)17-14-28-24(27)29-16(17)2/h14H,5-13,15H2,1-4H3,(H2,26,37)(H2,27,28,29)