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

Systemtic Name: [6-methoxycarbonyl-5-(2-methoxy-2-oxidanylidene-ethyl)-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl]methyl-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[[6-methoxycarbonyl-5-(2-methoxy-2-oxo-ethyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]-methyl-ammonium CAS Name: [6-methoxycarbonyl-5-(2-methoxy-2-oxoethyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[[6-methoxycarbonyl-5-(2-methoxy-2-oxoethyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]-methylazanium Traditional Name: benzyl-[[6-carbomethoxy-4-keto-5-(2-keto-2-methoxy-ethyl)-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]-methyl-ammonium Formula: C20H22N3O5S+ MolecularWeight: 416.47078

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O5S/c1-23(10-12-7-5-4-6-8-12)11-14-21-18(25)16-13(9-15(24)27-2)17(20(26)28-3)29-19(16)22-14/h4-8H,9-11H2,1-3H3,(H,21,22,25)/p+1