ethyl 5-methyl-4-[[1-(2-oxidanylidene-2-phenylazanyl-ethyl)piperidin-4-yl]amino]thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 5-methyl-4-[[1-(2-oxidanylidene-2-phenylazanyl-ethyl)piperidin-4-yl]amino]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 4-[[1-(2-anilino-2-oxo-ethyl)-4-piperidyl]amino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-[[1-(2-anilino-2-oxoethyl)-4-piperidinyl]amino]-5-methyl-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[1-(2-anilino-2-oxoethyl)piperidin-4-yl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-[[1-(2-anilino-2-keto-ethyl)-4-piperidyl]amino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C23H27N5O3S MolecularWeight: 453.55718

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N=CN=C2S1)NC3CCN(CC3)CC(=O)NC4=CC=CC=C4)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=CN=C2S1)NC3CCN(CC3)CC(=O)NC4=CC=CC=C4)C

InChI

InChI=1S/C23H27N5O3S/c1-3-31-23(30)20-15(2)19-21(24-14-25-22(19)32-20)27-17-9-11-28(12-10-17)13-18(29)26-16-7-5-4-6-8-16/h4-8,14,17H,3,9-13H2,1-2H3,(H,26,29)(H,24,25,27)