prop-2-enyl 2-[[cyclohexyl(2-oxidanylbutyl)amino]methyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: prop-2-enyl 2-[[cyclohexyl(2-oxidanylbutyl)amino]methyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: allyl 2-[[cyclohexyl(2-hydroxybutyl)amino]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-[[cyclohexyl(2-hydroxybutyl)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-[[cyclohexyl(2-hydroxybutyl)amino]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-[[cyclohexyl(2-hydroxybutyl)amino]methyl]-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid allyl ester Formula: C22H31N3O4S MolecularWeight: 433.56424

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CN(CC1=NC2=C(C(=C(S2)C(=O)OCC=C)C)C(=O)N1)C3CCCCC3)O

Isomeric SMILES

CCC(CN(CC1=NC2=C(C(=C(S2)C(=O)OCC=C)C)C(=O)N1)C3CCCCC3)O

InChI

InChI=1S/C22H31N3O4S/c1-4-11-29-22(28)19-14(3)18-20(27)23-17(24-21(18)30-19)13-25(12-16(26)5-2)15-9-7-6-8-10-15/h4,15-16,26H,1,5-13H2,2-3H3,(H,23,24,27)