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

Systemtic Name: ethyl 4-methyl-2-[[4-[(2-oxidanylideneazepan-3-yl)amino]-7-(pyridin-3-ylmethyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]amino]-1,3-thiazole-5-carboxylate Openeye Name: ethyl 4-methyl-2-[[4-[(2-oxoazepan-3-yl)amino]-7-(3-pyridylmethyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]amino]thiazole-5-carboxylate CAS Name: 4-methyl-2-[[4-[(2-oxo-3-azepanyl)amino]-7-(3-pyridinylmethyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]amino]-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-2-[[4-[(2-oxoazepan-3-yl)amino]-7-(pyridin-3-ylmethyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]amino]-1,3-thiazole-5-carboxylate Traditional Name: 2-[[4-[(2-ketoazepan-3-yl)amino]-7-(3-pyridylmethyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]amino]-4-methyl-thiazole-5-carboxylic acid ethyl ester Formula: C25H30N8O3S MolecularWeight: 522.6225

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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)NC5CCCCNC5=O)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(S1)NC2=NC3=C(CCN3CC4=CN=CC=C4)C(=N2)NC5CCCCNC5=O)C

InChI

InChI=1S/C25H30N8O3S/c1-3-36-23(35)19-15(2)28-25(37-19)32-24-30-20(29-18-8-4-5-11-27-22(18)34)17-9-12-33(21(17)31-24)14-16-7-6-10-26-13-16/h6-7,10,13,18H,3-5,8-9,11-12,14H2,1-2H3,(H,27,34)(H2,28,29,30,31,32)