(6-methoxycarbonyl-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methyl-[(1R)-1-naphthalen-1-ylethyl]azanium

Systemtic Name: (6-methoxycarbonyl-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methyl-[(1R)-1-naphthalen-1-ylethyl]azanium Openeye Name: (6-methoxycarbonyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl-[(1R)-1-(1-naphthyl)ethyl]ammonium CAS Name: (6-methoxycarbonyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl-[(1R)-1-(1-naphthalenyl)ethyl]ammonium IUPAC Name: (6-methoxycarbonyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl-[(1R)-1-naphthalen-1-ylethyl]azanium Traditional Name: (6-carbomethoxy-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl-[(1R)-1-(1-naphthyl)ethyl]ammonium Formula: C22H22N3O3S+ MolecularWeight: 408.49338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)C[NH2+]C(C)C3=CC=CC4=CC=CC=C43)C(=O)OC

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)C[NH2+][C@H](C)C3=CC=CC4=CC=CC=C43)C(=O)OC

InChI

InChI=1S/C22H21N3O3S/c1-12-18-20(26)24-17(25-21(18)29-19(12)22(27)28-3)11-23-13(2)15-10-6-8-14-7-4-5-9-16(14)15/h4-10,13,23H,11H2,1-3H3,(H,24,25,26)/p+1/t13-/m1/s1