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

Systemtic Name: (4-oxidanylidene-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl-(3-propan-2-yloxypropyl)azanium Openeye Name: 3-isopropoxypropyl-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]ammonium CAS Name: (4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl-(3-propan-2-yloxypropyl)ammonium IUPAC Name: (4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl-(3-propan-2-yloxypropyl)azanium Traditional Name: 3-isopropoxypropyl-[(4-keto-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]ammonium Formula: C19H24N3O2S+ MolecularWeight: 358.47776

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O2S/c1-13(2)24-10-6-9-20-11-16-21-18(23)17-15(12-25-19(17)22-16)14-7-4-3-5-8-14/h3-5,7-8,12-13,20H,6,9-11H2,1-2H3,(H,21,22,23)/p+1