6-azanyl-1-(2-methoxyethyl)-5-(4-nitrophenyl)sulfanyl-pyrimidine-2,4-dione

Systemtic Name: 6-azanyl-1-(2-methoxyethyl)-5-(4-nitrophenyl)sulfanyl-pyrimidine-2,4-dione Openeye Name: 6-amino-1-(2-methoxyethyl)-5-(4-nitrophenyl)sulfanyl-pyrimidine-2,4-dione CAS Name: 6-amino-1-(2-methoxyethyl)-5-[(4-nitrophenyl)thio]pyrimidine-2,4-dione IUPAC Name: 6-amino-1-(2-methoxyethyl)-5-(4-nitrophenyl)sulfanylpyrimidine-2,4-dione Traditional Name: 6-amino-1-(2-methoxyethyl)-5-[(4-nitrophenyl)thio]pyrimidine-2,4-quinone Formula: C13H14N4O5S MolecularWeight: 338.33906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(=C(C(=O)NC1=O)SC2=CC=C(C=C2)[N+](=O)[O-])N

Isomeric SMILES

COCCN1C(=C(C(=O)NC1=O)SC2=CC=C(C=C2)[N+](=O)[O-])N

InChI

InChI=1S/C13H14N4O5S/c1-22-7-6-16-11(14)10(12(18)15-13(16)19)23-9-4-2-8(3-5-9)17(20)21/h2-5H,6-7,14H2,1H3,(H,15,18,19)