6-azanyl-5-(2-nitro-1-phenyl-ethyl)-2-(phenylmethylsulfanyl)-1H-pyrimidin-4-one

Systemtic Name: 6-azanyl-5-(2-nitro-1-phenyl-ethyl)-2-(phenylmethylsulfanyl)-1H-pyrimidin-4-one Openeye Name: 6-amino-2-benzylsulfanyl-5-(2-nitro-1-phenyl-ethyl)-1H-pyrimidin-4-one CAS Name: 6-amino-5-(2-nitro-1-phenylethyl)-2-(phenylmethylthio)-1H-pyrimidin-4-one IUPAC Name: 6-amino-2-benzylsulfanyl-5-(2-nitro-1-phenylethyl)-1H-pyrimidin-4-one Traditional Name: 6-amino-2-(benzylthio)-5-(2-nitro-1-phenyl-ethyl)-1H-pyrimidin-4-one Formula: C19H18N4O3S MolecularWeight: 382.43622

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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=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C19H18N4O3S/c20-17-16(15(11-23(25)26)14-9-5-2-6-10-14)18(24)22-19(21-17)27-12-13-7-3-1-4-8-13/h1-10,15H,11-12H2,(H3,20,21,22,24)