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

Systemtic Name: (6-methoxycarbonyl-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methyl-methyl-(naphthalen-2-ylmethyl)azanium Openeye Name: (6-methoxycarbonyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl-methyl-(2-naphthylmethyl)ammonium CAS Name: (6-methoxycarbonyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl-methyl-(2-naphthalenylmethyl)ammonium IUPAC Name: (6-methoxycarbonyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl-methyl-(naphthalen-2-ylmethyl)azanium Traditional Name: (6-carbomethoxy-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl-methyl-(2-naphthylmethyl)ammonium Formula: C22H22N3O3S+ MolecularWeight: 408.49338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)C[NH+](C)CC3=CC4=CC=CC=C4C=C3)C(=O)OC

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)C[NH+](C)CC3=CC4=CC=CC=C4C=C3)C(=O)OC

InChI

InChI=1S/C22H21N3O3S/c1-13-18-20(26)23-17(24-21(18)29-19(13)22(27)28-3)12-25(2)11-14-8-9-15-6-4-5-7-16(15)10-14/h4-10H,11-12H2,1-3H3,(H,23,24,26)/p+1