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

Systemtic Name: propan-2-yl 5-methyl-2-[[methyl-(2-methyl-2-oxidanyl-but-3-enyl)amino]methyl]-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: isopropyl 2-[[(2-hydroxy-2-methyl-but-3-enyl)-methyl-amino]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-[[(2-hydroxy-2-methylbut-3-enyl)-methylamino]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-2-methylbut-3-enyl)-methylamino]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-[[(2-hydroxy-2-methyl-but-3-enyl)-methyl-amino]methyl]-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid isopropyl ester Formula: C18H25N3O4S MolecularWeight: 379.4738

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N3O4S/c1-7-18(5,24)9-21(6)8-12-19-15(22)13-11(4)14(26-16(13)20-12)17(23)25-10(2)3/h7,10,24H,1,8-9H2,2-6H3,(H,19,20,22)