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

Systemtic Name: 2-methylpropyl-[(4-oxidanylidene-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]azanium Openeye Name: isobutyl-[(4-oxo-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]ammonium CAS Name: 2-methylpropyl-[(4-oxo-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]ammonium IUPAC Name: 2-methylpropyl-[(4-oxo-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]azanium Traditional Name: isobutyl-[(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/c1-11(2)9-18-10-15-19-16(21)13-8-14(22-17(13)20-15)12-6-4-3-5-7-12/h3-8,11,18H,9-10H2,1-2H3,(H,19,20,21)/p+1