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

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

CC(C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])SC2=NC(=CC(=N2)N)N

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])SC2=NC(=CC(=N2)N)N

InChI

InChI=1S/C13H14N6O3S/c1-7(23-13-17-10(14)6-11(15)18-13)12(20)16-8-2-4-9(5-3-8)19(21)22/h2-7H,1H3,(H,16,20)(H4,14,15,17,18)/t7-/m1/s1