methyl 5-methyl-4-oxidanylidene-2-[[(2-oxidanyl-3-propan-2-yloxy-propyl)-propan-2-yl-amino]methyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: methyl 5-methyl-4-oxidanylidene-2-[[(2-oxidanyl-3-propan-2-yloxy-propyl)-propan-2-yl-amino]methyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: methyl 2-[[(2-hydroxy-3-isopropoxy-propyl)-isopropyl-amino]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-[[(2-hydroxy-3-propan-2-yloxypropyl)-propan-2-ylamino]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[[(2-hydroxy-3-propan-2-yloxypropyl)-propan-2-ylamino]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-[[(2-hydroxy-3-isopropoxy-propyl)-isopropyl-amino]methyl]-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester Formula: C19H29N3O5S MolecularWeight: 411.51566

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29N3O5S/c1-10(2)22(7-13(23)9-27-11(3)4)8-14-20-17(24)15-12(5)16(19(25)26-6)28-18(15)21-14/h10-11,13,23H,7-9H2,1-6H3,(H,20,21,24)