methyl 5-methyl-4-oxidanylidene-2-[[(2-oxidanyl-3-prop-2-ynoxy-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-prop-2-ynoxy-propyl)-propan-2-yl-amino]methyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: methyl 2-[[(2-hydroxy-3-prop-2-ynoxy-propyl)-isopropyl-amino]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-[[(2-hydroxy-3-prop-2-ynoxypropyl)-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-prop-2-ynoxypropyl)-propan-2-ylamino]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-[[(2-hydroxy-3-propargyloxy-propyl)-isopropyl-amino]methyl]-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester Formula: C19H25N3O5S MolecularWeight: 407.4839

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N3O5S/c1-6-7-27-10-13(23)8-22(11(2)3)9-14-20-17(24)15-12(4)16(19(25)26-5)28-18(15)21-14/h1,11,13,23H,7-10H2,2-5H3,(H,20,21,24)