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

Systemtic Name: 3-methoxypropyl-[(4-oxidanylidene-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]azanium Openeye Name: 3-methoxypropyl-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]ammonium CAS Name: 3-methoxypropyl-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]ammonium IUPAC Name: 3-methoxypropyl-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]azanium Traditional Name: (4-keto-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl-(3-methoxypropyl)ammonium Formula: C17H20N3O2S+ MolecularWeight: 330.4246

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O2S/c1-22-9-5-8-18-10-14-19-16(21)15-13(11-23-17(15)20-14)12-6-3-2-4-7-12/h2-4,6-7,11,18H,5,8-10H2,1H3,(H,19,20,21)/p+1