ethyl 4-methyl-2-[[6-morpholin-4-yl-9-(pyridin-3-ylmethyl)purin-2-yl]amino]-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 4-methyl-2-[[6-morpholin-4-yl-9-(pyridin-3-ylmethyl)purin-2-yl]amino]-1,3-thiazole-5-carboxylate Openeye Name: ethyl 4-methyl-2-[[6-morpholino-9-(3-pyridylmethyl)purin-2-yl]amino]thiazole-5-carboxylate CAS Name: 4-methyl-2-[[6-(4-morpholinyl)-9-(3-pyridinylmethyl)-2-purinyl]amino]-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-2-[[6-morpholin-4-yl-9-(pyridin-3-ylmethyl)purin-2-yl]amino]-1,3-thiazole-5-carboxylate Traditional Name: 4-methyl-2-[[6-morpholino-9-(3-pyridylmethyl)purin-2-yl]amino]thiazole-5-carboxylic acid ethyl ester Formula: C22H24N8O3S MolecularWeight: 480.54276

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(S1)NC2=NC3=C(C(=N2)N4CCOCC4)N=CN3CC5=CN=CC=C5)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(S1)NC2=NC3=C(C(=N2)N4CCOCC4)N=CN3CC5=CN=CC=C5)C

InChI

InChI=1S/C22H24N8O3S/c1-3-33-20(31)17-14(2)25-22(34-17)28-21-26-18(29-7-9-32-10-8-29)16-19(27-21)30(13-24-16)12-15-5-4-6-23-11-15/h4-6,11,13H,3,7-10,12H2,1-2H3,(H,25,26,27,28)