(3S)-3-azaniumyl-3-[2-(methylamino)pyrimidin-5-yl]propanoate

Systemtic Name: (3S)-3-azaniumyl-3-[2-(methylamino)pyrimidin-5-yl]propanoate Openeye Name: (3S)-3-azaniumyl-3-[2-(methylamino)pyrimidin-5-yl]propanoate CAS Name: (3S)-3-ammonio-3-[2-(methylamino)-5-pyrimidinyl]propanoate IUPAC Name: (3S)-3-azaniumyl-3-[2-(methylamino)pyrimidin-5-yl]propanoate Traditional Name: (3S)-3-ammonio-3-[2-(methylamino)pyrimidin-5-yl]propionate Formula: C8H12N4O2 MolecularWeight: 196.20648

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC=C(C=N1)C(CC(=O)[O-])[NH3+]

Isomeric SMILES

CNC1=NC=C(C=N1)[C@H](CC(=O)[O-])[NH3+]

InChI

InChI=1S/C8H12N4O2/c1-10-8-11-3-5(4-12-8)6(9)2-7(13)14/h3-4,6H,2,9H2,1H3,(H,13,14)(H,10,11,12)/t6-/m0/s1