2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-(4-nitrophenyl)ethanamide

Systemtic Name: 2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-(4-nitrophenyl)ethanamide Openeye Name: 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(4-nitrophenyl)acetamide CAS Name: 2-[(4,6-diamino-2-pyrimidinyl)thio]-N-(4-nitrophenyl)acetamide IUPAC Name: 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(4-nitrophenyl)acetamide Traditional Name: 2-[(4,6-diaminopyrimidin-2-yl)thio]-N-(4-nitrophenyl)acetamide Formula: C12H12N6O3S MolecularWeight: 320.32708

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)CSC2=NC(=CC(=N2)N)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1NC(=O)CSC2=NC(=CC(=N2)N)N)[N+](=O)[O-]

InChI

InChI=1S/C12H12N6O3S/c13-9-5-10(14)17-12(16-9)22-6-11(19)15-7-1-3-8(4-2-7)18(20)21/h1-5H,6H2,(H,15,19)(H4,13,14,16,17)