(6-methoxycarbonyl-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methyl-methyl-[(4-prop-2-enoxyphenyl)methyl]azanium

Systemtic Name: (6-methoxycarbonyl-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methyl-methyl-[(4-prop-2-enoxyphenyl)methyl]azanium Openeye Name: (4-allyloxyphenyl)methyl-[(6-methoxycarbonyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-methyl-ammonium CAS Name: (6-methoxycarbonyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl-methyl-[(4-prop-2-enoxyphenyl)methyl]ammonium IUPAC Name: (6-methoxycarbonyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl-methyl-[(4-prop-2-enoxyphenyl)methyl]azanium Traditional Name: (4-allyloxybenzyl)-[(6-carbomethoxy-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-methyl-ammonium Formula: C21H24N3O4S+ MolecularWeight: 414.49796

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)C[NH+](C)CC3=CC=C(C=C3)OCC=C)C(=O)OC

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)C[NH+](C)CC3=CC=C(C=C3)OCC=C)C(=O)OC

InChI

InChI=1S/C21H23N3O4S/c1-5-10-28-15-8-6-14(7-9-15)11-24(3)12-16-22-19(25)17-13(2)18(21(26)27-4)29-20(17)23-16/h5-9H,1,10-12H2,2-4H3,(H,22,23,25)/p+1