6-azanyl-5-[1-(4-bromophenyl)-2-nitro-ethyl]-2-(phenylmethylsulfanyl)-1H-pyrimidin-4-one

Systemtic Name: 6-azanyl-5-[1-(4-bromophenyl)-2-nitro-ethyl]-2-(phenylmethylsulfanyl)-1H-pyrimidin-4-one Openeye Name: 6-amino-2-benzylsulfanyl-5-[1-(4-bromophenyl)-2-nitro-ethyl]-1H-pyrimidin-4-one CAS Name: 6-amino-5-[1-(4-bromophenyl)-2-nitroethyl]-2-(phenylmethylthio)-1H-pyrimidin-4-one IUPAC Name: 6-amino-2-benzylsulfanyl-5-[1-(4-bromophenyl)-2-nitroethyl]-1H-pyrimidin-4-one Traditional Name: 6-amino-2-(benzylthio)-5-[1-(4-bromophenyl)-2-nitro-ethyl]-1H-pyrimidin-4-one Formula: C19H17BrN4O3S MolecularWeight: 461.33228

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC(=O)C(=C(N2)N)C(C[N+](=O)[O-])C3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC(=O)C(=C(N2)N)C(C[N+](=O)[O-])C3=CC=C(C=C3)Br

InChI

InChI=1S/C19H17BrN4O3S/c20-14-8-6-13(7-9-14)15(10-24(26)27)16-17(21)22-19(23-18(16)25)28-11-12-4-2-1-3-5-12/h1-9,15H,10-11H2,(H3,21,22,23,25)