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

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

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

Isomeric SMILES

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

InChI

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