propan-2-yl 5-methyl-4-oxidanylidene-2-[[(2-oxidanyl-3-propan-2-yloxy-propyl)-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-3-propan-2-yloxy-propyl)-prop-2-enyl-amino]methyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: isopropyl 2-[[allyl-(2-hydroxy-3-isopropoxy-propyl)amino]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-[[(2-hydroxy-3-propan-2-yloxypropyl)-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-3-propan-2-yloxypropyl)-prop-2-enylamino]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-[[allyl-(2-hydroxy-3-isopropoxy-propyl)amino]methyl]-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid isopropyl ester Formula: C21H31N3O5S MolecularWeight: 437.55294

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31N3O5S/c1-7-8-24(9-15(25)11-28-12(2)3)10-16-22-19(26)17-14(6)18(30-20(17)23-16)21(27)29-13(4)5/h7,12-13,15,25H,1,8-11H2,2-6H3,(H,22,23,26)