(2R)-2-[[2-(2-azanyl-5-ethyl-6-methyl-pyrimidin-4-yl)-1H-1,2-diazirin-2-ium-3-yl]sulfanyl]-3-oxidanylidene-N-phenyl-butanamide

Systemtic Name: (2R)-2-[[2-(2-azanyl-5-ethyl-6-methyl-pyrimidin-4-yl)-1H-1,2-diazirin-2-ium-3-yl]sulfanyl]-3-oxidanylidene-N-phenyl-butanamide Openeye Name: (2R)-2-[[2-(2-amino-5-ethyl-6-methyl-pyrimidin-4-yl)-1H-diazirin-2-ium-3-yl]sulfanyl]-3-oxo-N-phenyl-butanamide CAS Name: (2R)-2-[[2-(2-amino-5-ethyl-6-methyl-4-pyrimidinyl)-1H-diazirin-2-ium-3-yl]thio]-3-oxo-N-phenylbutanamide IUPAC Name: (2R)-2-[[2-(2-amino-5-ethyl-6-methylpyrimidin-4-yl)-1H-diazirin-2-ium-3-yl]sulfanyl]-3-oxo-N-phenylbutanamide Traditional Name: (2R)-2-[[2-(2-amino-5-ethyl-6-methyl-pyrimidin-4-yl)-1H-diazirin-2-ium-3-yl]thio]-3-keto-N-phenyl-butyramide Formula: C18H21N6O2S+ MolecularWeight: 385.46334

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=C(N=C1[N+]2=C(N2)SC(C(=O)C)C(=O)NC3=CC=CC=C3)N)C

Isomeric SMILES

CCC1=C(N=C(N=C1[N+]2=C(N2)S[C@H](C(=O)C)C(=O)NC3=CC=CC=C3)N)C

InChI

InChI=1S/C18H20N6O2S/c1-4-13-10(2)20-17(19)22-15(13)24-18(23-24)27-14(11(3)25)16(26)21-12-8-6-5-7-9-12/h5-9,14H,4H2,1-3H3,(H3,19,20,21,22,26)/p+1/t14-,24?/m1/s1