3-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-(4-nitrophenyl)propanamide

Systemtic Name: 3-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-(4-nitrophenyl)propanamide Openeye Name: 3-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(4-nitrophenyl)propanamide CAS Name: 3-[(4,6-diamino-2-pyrimidinyl)thio]-N-(4-nitrophenyl)propanamide IUPAC Name: 3-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(4-nitrophenyl)propanamide Traditional Name: 3-[(4,6-diaminopyrimidin-2-yl)thio]-N-(4-nitrophenyl)propionamide Formula: C13H14N6O3S MolecularWeight: 334.35366

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)CCSC2=NC(=CC(=N2)N)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1NC(=O)CCSC2=NC(=CC(=N2)N)N)[N+](=O)[O-]

InChI

InChI=1S/C13H14N6O3S/c14-10-7-11(15)18-13(17-10)23-6-5-12(20)16-8-1-3-9(4-2-8)19(21)22/h1-4,7H,5-6H2,(H,16,20)(H4,14,15,17,18)