(4R)-4-(5-nitro-2-oxidanyl-phenyl)-6-phenyl-3,4-dihydro-1H-pyrimidine-2-thione

Systemtic Name: (4R)-4-(5-nitro-2-oxidanyl-phenyl)-6-phenyl-3,4-dihydro-1H-pyrimidine-2-thione Openeye Name: (4R)-4-(2-hydroxy-5-nitro-phenyl)-6-phenyl-3,4-dihydro-1H-pyrimidine-2-thione CAS Name: (4R)-4-(2-hydroxy-5-nitrophenyl)-6-phenyl-3,4-dihydro-1H-pyrimidine-2-thione IUPAC Name: (4R)-4-(2-hydroxy-5-nitrophenyl)-6-phenyl-3,4-dihydro-1H-pyrimidine-2-thione Traditional Name: (4R)-4-(2-hydroxy-5-nitro-phenyl)-6-phenyl-3,4-dihydro-1H-pyrimidine-2-thione Formula: C16H13N3O3S MolecularWeight: 327.35772

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(NC(=S)N2)C3=C(C=CC(=C3)[N+](=O)[O-])O

Isomeric SMILES

C1=CC=C(C=C1)C2=C[C@@H](NC(=S)N2)C3=C(C=CC(=C3)[N+](=O)[O-])O

InChI

InChI=1S/C16H13N3O3S/c20-15-7-6-11(19(21)22)8-12(15)14-9-13(17-16(23)18-14)10-4-2-1-3-5-10/h1-9,14,20H,(H2,17,18,23)/t14-/m1/s1