ethyl 2-[[4-[6-(dimethylamino)hexylamino]-7-(pyridin-3-ylmethyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 2-[[4-[6-(dimethylamino)hexylamino]-7-(pyridin-3-ylmethyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-[[4-[6-(dimethylamino)hexylamino]-7-(3-pyridylmethyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]amino]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[[4-[6-(dimethylamino)hexylamino]-7-(3-pyridinylmethyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]amino]-4-methyl-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[4-[6-(dimethylamino)hexylamino]-7-(pyridin-3-ylmethyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[[4-[6-(dimethylamino)hexylamino]-7-(3-pyridylmethyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]amino]-4-methyl-thiazole-5-carboxylic acid ethyl ester Formula: C27H38N8O2S MolecularWeight: 538.70802

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(S1)NC2=NC3=C(CCN3CC4=CN=CC=C4)C(=N2)NCCCCCCN(C)C)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(S1)NC2=NC3=C(CCN3CC4=CN=CC=C4)C(=N2)NCCCCCCN(C)C)C

InChI

InChI=1S/C27H38N8O2S/c1-5-37-25(36)22-19(2)30-27(38-22)33-26-31-23(29-14-8-6-7-9-15-34(3)4)21-12-16-35(24(21)32-26)18-20-11-10-13-28-17-20/h10-11,13,17H,5-9,12,14-16,18H2,1-4H3,(H2,29,30,31,32,33)