(4-oxidanylidene-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl-[(1S)-1-phenylethyl]azanium

Systemtic Name: (4-oxidanylidene-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl-[(1S)-1-phenylethyl]azanium Openeye Name: (4-oxo-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl-[(1S)-1-phenylethyl]ammonium CAS Name: (4-oxo-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl-[(1S)-1-phenylethyl]ammonium IUPAC Name: (4-oxo-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl-[(1S)-1-phenylethyl]azanium Traditional Name: (4-keto-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl-[(1S)-1-phenylethyl]ammonium Formula: C21H20N3OS+ MolecularWeight: 362.468

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)[NH2+]CC2=NC3=C(C=C(S3)C4=CC=CC=C4)C(=O)N2

Isomeric SMILES

C[C@@H](C1=CC=CC=C1)[NH2+]CC2=NC3=C(C=C(S3)C4=CC=CC=C4)C(=O)N2

InChI

InChI=1S/C21H19N3OS/c1-14(15-8-4-2-5-9-15)22-13-19-23-20(25)17-12-18(26-21(17)24-19)16-10-6-3-7-11-16/h2-12,14,22H,13H2,1H3,(H,23,24,25)/p+1/t14-/m0/s1