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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3OS/c1-12(2)8-9-19-10-15-20-17(22)16-14(11-23-18(16)21-15)13-6-4-3-5-7-13/h3-7,11-12,19H,8-10H2,1-2H3,(H,20,21,22)/p+1