prop-2-enyl 5-methyl-2-[[2-methylpropyl-(2-oxidanyl-3-prop-2-enoxy-propyl)amino]methyl]-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: prop-2-enyl 5-methyl-2-[[2-methylpropyl-(2-oxidanyl-3-prop-2-enoxy-propyl)amino]methyl]-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: allyl 2-[[(3-allyloxy-2-hydroxy-propyl)-isobutyl-amino]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-[[(2-hydroxy-3-prop-2-enoxypropyl)-(2-methylpropyl)amino]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-enoxypropyl)-(2-methylpropyl)amino]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-[[(3-allyloxy-2-hydroxy-propyl)-isobutyl-amino]methyl]-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid allyl ester Formula: C22H31N3O5S MolecularWeight: 449.56364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31N3O5S/c1-6-8-29-13-16(26)11-25(10-14(3)4)12-17-23-20(27)18-15(5)19(31-21(18)24-17)22(28)30-9-7-2/h6-7,14,16,26H,1-2,8-13H2,3-5H3,(H,23,24,27)