(4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl-[(2R)-4-phenylbutan-2-yl]azanium

Systemtic Name: (4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl-[(2R)-4-phenylbutan-2-yl]azanium Openeye Name: [(1R)-1-methyl-3-phenyl-propyl]-[(4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]ammonium CAS Name: (4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl-[(2R)-4-phenylbutan-2-yl]ammonium IUPAC Name: (4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl-[(2R)-4-phenylbutan-2-yl]azanium Traditional Name: (4-keto-1H-thieno[3,2-d]pyrimidin-2-yl)methyl-[(1R)-1-methyl-3-phenyl-propyl]ammonium Formula: C17H20N3OS+ MolecularWeight: 314.4252

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)[NH2+]CC2=NC(=O)C3=C(N2)C=CS3

Isomeric SMILES

C[C@H](CCC1=CC=CC=C1)[NH2+]CC2=NC(=O)C3=C(N2)C=CS3

InChI

InChI=1S/C17H19N3OS/c1-12(7-8-13-5-3-2-4-6-13)18-11-15-19-14-9-10-22-16(14)17(21)20-15/h2-6,9-10,12,18H,7-8,11H2,1H3,(H,19,20,21)/p+1/t12-/m1/s1