(3-cyanophenyl)methyl-methyl-[(4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]azanium

Systemtic Name: (3-cyanophenyl)methyl-methyl-[(4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]azanium Openeye Name: (3-cyanophenyl)methyl-methyl-[(4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]ammonium CAS Name: (3-cyanophenyl)methyl-methyl-[(4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]ammonium IUPAC Name: (3-cyanophenyl)methyl-methyl-[(4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]azanium Traditional Name: (3-cyanobenzyl)-[(4-keto-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-methyl-ammonium Formula: C16H15N4OS+ MolecularWeight: 311.3815

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC(=C1)C#N)CC2=NC3=C(C=CS3)C(=O)N2

Isomeric SMILES

C[NH+](CC1=CC=CC(=C1)C#N)CC2=NC3=C(C=CS3)C(=O)N2

InChI

InChI=1S/C16H14N4OS/c1-20(9-12-4-2-3-11(7-12)8-17)10-14-18-15(21)13-5-6-22-16(13)19-14/h2-7H,9-10H2,1H3,(H,18,19,21)/p+1