ethyl 2-[[4-(4-ethanoylpiperazin-1-yl)-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-(4-ethanoylpiperazin-1-yl)-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-(4-acetylpiperazin-1-yl)-7-(3-pyridylmethyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]amino]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[[4-(4-acetyl-1-piperazinyl)-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-(4-acetylpiperazin-1-yl)-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-(4-acetylpiperazino)-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=NC(=C3CCN(C3=N2)CC4=CN=CC=C4)N5CCN(CC5)C(=O)C)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(S1)NC2=NC(=C3CCN(C3=N2)CC4=CN=CC=C4)N5CCN(CC5)C(=O)C)C

InChI

InChI=1S/C25H30N8O3S/c1-4-36-23(35)20-16(2)27-25(37-20)30-24-28-21(32-12-10-31(11-13-32)17(3)34)19-7-9-33(22(19)29-24)15-18-6-5-8-26-14-18/h5-6,8,14H,4,7,9-13,15H2,1-3H3,(H,27,28,29,30)