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

Systemtic Name: cyclopropyl-[(6-methoxycarbonyl-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-[(4-methoxyphenyl)methyl]azanium Openeye Name: cyclopropyl-[(6-methoxycarbonyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-[(4-methoxyphenyl)methyl]ammonium CAS Name: cyclopropyl-[(6-methoxycarbonyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-[(4-methoxyphenyl)methyl]ammonium IUPAC Name: cyclopropyl-[(6-methoxycarbonyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-[(4-methoxyphenyl)methyl]azanium Traditional Name: (6-carbomethoxy-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl-cyclopropyl-p-anisyl-ammonium Formula: C21H24N3O4S+ MolecularWeight: 414.49796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)C[NH+](CC3=CC=C(C=C3)OC)C4CC4)C(=O)OC

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)C[NH+](CC3=CC=C(C=C3)OC)C4CC4)C(=O)OC

InChI

InChI=1S/C21H23N3O4S/c1-12-17-19(25)22-16(23-20(17)29-18(12)21(26)28-3)11-24(14-6-7-14)10-13-4-8-15(27-2)9-5-13/h4-5,8-9,14H,6-7,10-11H2,1-3H3,(H,22,23,25)/p+1