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

Systemtic Name: ethyl-[(6-methoxycarbonyl-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-(phenylmethyl)azanium Openeye Name: benzyl-ethyl-[(6-methoxycarbonyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]ammonium CAS Name: ethyl-[(6-methoxycarbonyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-ethyl-[(6-methoxycarbonyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]azanium Traditional Name: benzyl-[(6-carbomethoxy-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-ethyl-ammonium Formula: C19H22N3O3S+ MolecularWeight: 372.46128

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=CC=C1)CC2=NC3=C(C(=C(S3)C(=O)OC)C)C(=O)N2

Isomeric SMILES

CC[NH+](CC1=CC=CC=C1)CC2=NC3=C(C(=C(S3)C(=O)OC)C)C(=O)N2

InChI

InChI=1S/C19H21N3O3S/c1-4-22(10-13-8-6-5-7-9-13)11-14-20-17(23)15-12(2)16(19(24)25-3)26-18(15)21-14/h5-9H,4,10-11H2,1-3H3,(H,20,21,23)/p+1