6-(furan-3-ylmethylamino)-1-methyl-5-nitro-2-phenyl-pyrimidine-4-thione

Systemtic Name: 6-(furan-3-ylmethylamino)-1-methyl-5-nitro-2-phenyl-pyrimidine-4-thione Openeye Name: 6-(3-furylmethylamino)-1-methyl-5-nitro-2-phenyl-pyrimidine-4-thione CAS Name: 6-(3-furanylmethylamino)-1-methyl-5-nitro-2-phenyl-4-pyrimidinethione IUPAC Name: 6-(furan-3-ylmethylamino)-1-methyl-5-nitro-2-phenylpyrimidine-4-thione Traditional Name: 6-(3-furfurylamino)-1-methyl-5-nitro-2-phenyl-pyrimidine-4-thione Formula: C16H14N4O3S MolecularWeight: 342.37236

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=S)N=C1C2=CC=CC=C2)[N+](=O)[O-])NCC3=COC=C3

Isomeric SMILES

CN1C(=C(C(=S)N=C1C2=CC=CC=C2)[N+](=O)[O-])NCC3=COC=C3

InChI

InChI=1S/C16H14N4O3S/c1-19-14(12-5-3-2-4-6-12)18-16(24)13(20(21)22)15(19)17-9-11-7-8-23-10-11/h2-8,10,17H,9H2,1H3