prop-2-enyl 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: prop-2-enyl 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: allyl 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 prop-2-enyl ester IUPAC Name: prop-2-enyl 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 allyl ester Formula: C21H27N3O5S MolecularWeight: 433.52118

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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)OCC=C

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O5S/c1-6-8-28-12-15(25)10-24(13(3)4)11-16-22-19(26)17-14(5)18(30-20(17)23-16)21(27)29-9-7-2/h1,7,13,15,25H,2,8-12H2,3-5H3,(H,22,23,26)