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

Systemtic Name: (3S)-3-azaniumyl-3-[2-(ethylamino)pyrimidin-5-yl]propanoate Openeye Name: (3S)-3-azaniumyl-3-[2-(ethylamino)pyrimidin-5-yl]propanoate CAS Name: (3S)-3-ammonio-3-[2-(ethylamino)-5-pyrimidinyl]propanoate IUPAC Name: (3S)-3-azaniumyl-3-[2-(ethylamino)pyrimidin-5-yl]propanoate Traditional Name: (3S)-3-ammonio-3-[2-(ethylamino)pyrimidin-5-yl]propionate Formula: C9H14N4O2 MolecularWeight: 210.23306

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC=C(C=N1)C(CC(=O)[O-])[NH3+]

Isomeric SMILES

CCNC1=NC=C(C=N1)[C@H](CC(=O)[O-])[NH3+]

InChI

InChI=1S/C9H14N4O2/c1-2-11-9-12-4-6(5-13-9)7(10)3-8(14)15/h4-5,7H,2-3,10H2,1H3,(H,14,15)(H,11,12,13)/t7-/m0/s1