butyl-[(4-oxidanylidene-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]azanium

Systemtic Name: butyl-[(4-oxidanylidene-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]azanium Openeye Name: butyl-[(4-oxo-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]ammonium CAS Name: butyl-[(4-oxo-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]ammonium IUPAC Name: butyl-[(4-oxo-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]azanium Traditional Name: butyl-[(4-keto-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]ammonium Formula: C17H20N3OS+ MolecularWeight: 314.4252

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH2+]CC1=NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)N1

Isomeric SMILES

CCCC[NH2+]CC1=NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)N1

InChI

InChI=1S/C17H19N3OS/c1-2-3-9-18-11-15-19-16(21)13-10-14(22-17(13)20-15)12-7-5-4-6-8-12/h4-8,10,18H,2-3,9,11H2,1H3,(H,19,20,21)/p+1