[(2S,4aS)-6-(4-chlorophenyl)-4-oxidanylidene-3,4a-dihydro-2H-pteridin-2-yl]azanium

Systemtic Name: [(2S,4aS)-6-(4-chlorophenyl)-4-oxidanylidene-3,4a-dihydro-2H-pteridin-2-yl]azanium Openeye Name: [(2S,4aS)-6-(4-chlorophenyl)-4-oxo-3,4a-dihydro-2H-pteridin-2-yl]ammonium CAS Name: [(2S,4aS)-6-(4-chlorophenyl)-4-oxo-3,4a-dihydro-2H-pteridin-2-yl]ammonium IUPAC Name: [(2S,4aS)-6-(4-chlorophenyl)-4-oxo-3,4a-dihydro-2H-pteridin-2-yl]azanium Traditional Name: [(2S,4aS)-6-(4-chlorophenyl)-4-keto-3,4a-dihydro-2H-pteridin-2-yl]ammonium Formula: C12H11ClN5O+ MolecularWeight: 276.70164

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NC3C(=O)NC(N=C3N=C2)[NH3+])Cl

Isomeric SMILES

C1=CC(=CC=C1C2=N[C@@H]3C(=O)N[C@@H](N=C3N=C2)[NH3+])Cl

InChI

InChI=1S/C12H10ClN5O/c13-7-3-1-6(2-4-7)8-5-15-10-9(16-8)11(19)18-12(14)17-10/h1-5,9,12H,14H2,(H,18,19)/p+1/t9-,12+/m0/s1