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

Systemtic Name: 6-azanyl-1-butyl-5-(2-nitrophenyl)sulfanyl-pyrimidine-2,4-dione Openeye Name: 6-amino-1-butyl-5-(2-nitrophenyl)sulfanyl-pyrimidine-2,4-dione CAS Name: 6-amino-1-butyl-5-[(2-nitrophenyl)thio]pyrimidine-2,4-dione IUPAC Name: 6-amino-1-butyl-5-(2-nitrophenyl)sulfanylpyrimidine-2,4-dione Traditional Name: 6-amino-1-butyl-5-[(2-nitrophenyl)thio]pyrimidine-2,4-quinone Formula: C14H16N4O4S MolecularWeight: 336.36624

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)SC2=CC=CC=C2[N+](=O)[O-])N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)SC2=CC=CC=C2[N+](=O)[O-])N

InChI

InChI=1S/C14H16N4O4S/c1-2-3-8-17-12(15)11(13(19)16-14(17)20)23-10-7-5-4-6-9(10)18(21)22/h4-7H,2-3,8,15H2,1H3,(H,16,19,20)