(4-oxidanylidene-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl-pentyl-azanium

Systemtic Name: (4-oxidanylidene-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl-pentyl-azanium Openeye Name: (4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl-pentyl-ammonium CAS Name: (4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl-pentylammonium IUPAC Name: (4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl-pentylazanium Traditional Name: amyl-[(4-keto-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]ammonium Formula: C18H22N3OS+ MolecularWeight: 328.45178

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC[NH2+]CC1=NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)N1

Isomeric SMILES

CCCCC[NH2+]CC1=NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)N1

InChI

InChI=1S/C18H21N3OS/c1-2-3-7-10-19-11-15-20-17(22)16-14(12-23-18(16)21-15)13-8-5-4-6-9-13/h4-6,8-9,12,19H,2-3,7,10-11H2,1H3,(H,20,21,22)/p+1