propan-2-yl 5-methyl-4-oxidanylidene-2-[[(2-oxidanyl-2-phenyl-ethyl)-prop-2-enyl-amino]methyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: propan-2-yl 5-methyl-4-oxidanylidene-2-[[(2-oxidanyl-2-phenyl-ethyl)-prop-2-enyl-amino]methyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: isopropyl 2-[[allyl-(2-hydroxy-2-phenyl-ethyl)amino]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-[[(2-hydroxy-2-phenylethyl)-prop-2-enylamino]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[[(2-hydroxy-2-phenylethyl)-prop-2-enylamino]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-[[allyl-(2-hydroxy-2-phenyl-ethyl)amino]methyl]-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid isopropyl ester Formula: C23H27N3O4S MolecularWeight: 441.54318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)CN(CC=C)CC(C3=CC=CC=C3)O)C(=O)OC(C)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)CN(CC=C)CC(C3=CC=CC=C3)O)C(=O)OC(C)C

InChI

InChI=1S/C23H27N3O4S/c1-5-11-26(12-17(27)16-9-7-6-8-10-16)13-18-24-21(28)19-15(4)20(31-22(19)25-18)23(29)30-14(2)3/h5-10,14,17,27H,1,11-13H2,2-4H3,(H,24,25,28)