2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-N-(6-nitro-1,3-benzothiazol-2-yl)propanamide

Systemtic Name: 2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-N-(6-nitro-1,3-benzothiazol-2-yl)propanamide Openeye Name: 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(6-nitro-1,3-benzothiazol-2-yl)propanamide CAS Name: 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)thio]-N-(6-nitro-1,3-benzothiazol-2-yl)propanamide IUPAC Name: 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(6-nitro-1,3-benzothiazol-2-yl)propanamide Traditional Name: 2-[(6-amino-4-keto-1H-pyrimidin-2-yl)thio]-N-(6-nitro-1,3-benzothiazol-2-yl)propionamide Formula: C14H12N6O4S2 MolecularWeight: 392.41288

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-])SC3=NC(=O)C=C(N3)N

Isomeric SMILES

CC(C(=O)NC1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-])SC3=NC(=O)C=C(N3)N

InChI

InChI=1S/C14H12N6O4S2/c1-6(25-14-17-10(15)5-11(21)18-14)12(22)19-13-16-8-3-2-7(20(23)24)4-9(8)26-13/h2-6H,1H3,(H,16,19,22)(H3,15,17,18,21)