6-azanyl-5-[(6-azanyl-4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-5-yl)-(4-nitrophenyl)methyl]-2-sulfanylidene-1H-pyrimidin-4-one

Systemtic Name: 6-azanyl-5-[(6-azanyl-4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-5-yl)-(4-nitrophenyl)methyl]-2-sulfanylidene-1H-pyrimidin-4-one Openeye Name: 6-amino-5-[(6-amino-4-oxo-2-thioxo-1H-pyrimidin-5-yl)-(4-nitrophenyl)methyl]-2-thioxo-1H-pyrimidin-4-one CAS Name: 6-amino-5-[(6-amino-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)-(4-nitrophenyl)methyl]-2-sulfanylidene-1H-pyrimidin-4-one IUPAC Name: 6-amino-5-[(6-amino-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)-(4-nitrophenyl)methyl]-2-sulfanylidene-1H-pyrimidin-4-one Traditional Name: 6-amino-5-[(6-amino-4-keto-2-thioxo-1H-pyrimidin-5-yl)-(4-nitrophenyl)methyl]-2-thioxo-1H-pyrimidin-4-one Formula: C15H13N7O4S2 MolecularWeight: 419.43822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(C2=C(NC(=S)NC2=O)N)C3=C(NC(=S)NC3=O)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(C2=C(NC(=S)NC2=O)N)C3=C(NC(=S)NC3=O)N)[N+](=O)[O-]

InChI

InChI=1S/C15H13N7O4S2/c16-10-8(12(23)20-14(27)18-10)7(5-1-3-6(4-2-5)22(25)26)9-11(17)19-15(28)21-13(9)24/h1-4,7H,(H4,16,18,20,23,27)(H4,17,19,21,24,28)