ethyl 2-[[4-[(2-butoxy-2-oxidanylidene-ethyl)amino]-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-[(2-butoxy-2-oxidanylidene-ethyl)amino]-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-[(2-butoxy-2-oxo-ethyl)amino]-7-(3-pyridylmethyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]amino]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[[4-[(2-butoxy-2-oxoethyl)amino]-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-[(2-butoxy-2-oxoethyl)amino]-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-[(2-butoxy-2-keto-ethyl)amino]-7-(3-pyridylmethyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]amino]-4-methyl-thiazole-5-carboxylic acid ethyl ester Formula: C25H31N7O4S MolecularWeight: 525.62314

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CNC1=NC(=NC2=C1CCN2CC3=CN=CC=C3)NC4=NC(=C(S4)C(=O)OCC)C

Isomeric SMILES

CCCCOC(=O)CNC1=NC(=NC2=C1CCN2CC3=CN=CC=C3)NC4=NC(=C(S4)C(=O)OCC)C

InChI

InChI=1S/C25H31N7O4S/c1-4-6-12-36-19(33)14-27-21-18-9-11-32(15-17-8-7-10-26-13-17)22(18)30-24(29-21)31-25-28-16(3)20(37-25)23(34)35-5-2/h7-8,10,13H,4-6,9,11-12,14-15H2,1-3H3,(H2,27,28,29,30,31)