3-methylbutyl-[(1R)-1-(4-oxidanylidene-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]azanium

Systemtic Name: 3-methylbutyl-[(1R)-1-(4-oxidanylidene-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]azanium Openeye Name: isopentyl-[(1R)-1-(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]ammonium CAS Name: 3-methylbutyl-[(1R)-1-(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]ammonium IUPAC Name: 3-methylbutyl-[(1R)-1-(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]azanium Traditional Name: isoamyl-[(1R)-1-(4-keto-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]ammonium Formula: C19H24N3OS+ MolecularWeight: 342.47836

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC[NH2+]C(C)C1=NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)N1

Isomeric SMILES

C[C@H](C1=NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)N1)[NH2+]CCC(C)C

InChI

InChI=1S/C19H23N3OS/c1-12(2)9-10-20-13(3)17-21-18(23)16-15(11-24-19(16)22-17)14-7-5-4-6-8-14/h4-8,11-13,20H,9-10H2,1-3H3,(H,21,22,23)/p+1/t13-/m1/s1