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

Systemtic Name: prop-2-enyl 5-methyl-2-[[2-oxidanylhex-5-enyl-(phenylmethyl)amino]methyl]-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: allyl 2-[[benzyl(2-hydroxyhex-5-enyl)amino]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-[[2-hydroxyhex-5-enyl-(phenylmethyl)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-[[benzyl(2-hydroxyhex-5-enyl)amino]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-[[benzyl(2-hydroxyhex-5-enyl)amino]methyl]-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid allyl ester Formula: C25H29N3O4S MolecularWeight: 467.58046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)CN(CC3=CC=CC=C3)CC(CCC=C)O)C(=O)OCC=C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)CN(CC3=CC=CC=C3)CC(CCC=C)O)C(=O)OCC=C

InChI

InChI=1S/C25H29N3O4S/c1-4-6-12-19(29)15-28(14-18-10-8-7-9-11-18)16-20-26-23(30)21-17(3)22(33-24(21)27-20)25(31)32-13-5-2/h4-5,7-11,19,29H,1-2,6,12-16H2,3H3,(H,26,27,30)