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

Systemtic Name: prop-2-enyl 5-methyl-4-oxidanylidene-2-[[2-oxidanylpentyl(prop-2-enyl)amino]methyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: allyl 2-[[allyl(2-hydroxypentyl)amino]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-[[2-hydroxypentyl(prop-2-enyl)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-hydroxypentyl(prop-2-enyl)amino]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-[[allyl(2-hydroxypentyl)amino]methyl]-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid allyl ester Formula: C20H27N3O4S MolecularWeight: 405.51108

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CN(CC=C)CC1=NC2=C(C(=C(S2)C(=O)OCC=C)C)C(=O)N1)O

Isomeric SMILES

CCCC(CN(CC=C)CC1=NC2=C(C(=C(S2)C(=O)OCC=C)C)C(=O)N1)O

InChI

InChI=1S/C20H27N3O4S/c1-5-8-14(24)11-23(9-6-2)12-15-21-18(25)16-13(4)17(28-19(16)22-15)20(26)27-10-7-3/h6-7,14,24H,2-3,5,8-12H2,1,4H3,(H,21,22,25)