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

Systemtic Name: (5-chloranylthiophen-2-yl)methyl-[(6-methoxycarbonyl-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-methyl-azanium Openeye Name: (5-chloro-2-thienyl)methyl-[(6-methoxycarbonyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-methyl-ammonium CAS Name: (5-chloro-2-thiophenyl)methyl-[(6-methoxycarbonyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-methylammonium IUPAC Name: (5-chlorothiophen-2-yl)methyl-[(6-methoxycarbonyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-methylazanium Traditional Name: (6-carbomethoxy-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl-[(5-chloro-2-thienyl)methyl]-methyl-ammonium Formula: C16H17ClN3O3S2+ MolecularWeight: 398.90748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)C[NH+](C)CC3=CC=C(S3)Cl)C(=O)OC

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)C[NH+](C)CC3=CC=C(S3)Cl)C(=O)OC

InChI

InChI=1S/C16H16ClN3O3S2/c1-8-12-14(21)18-11(19-15(12)25-13(8)16(22)23-3)7-20(2)6-9-4-5-10(17)24-9/h4-5H,6-7H2,1-3H3,(H,18,19,21)/p+1