(2R)-2-[(2,6-dimethyl-5-prop-2-enyl-pyrimidin-4-yl)azaniumyl]pentanedioate

Systemtic Name: (2R)-2-[(2,6-dimethyl-5-prop-2-enyl-pyrimidin-4-yl)azaniumyl]pentanedioate Openeye Name: (2R)-2-[(5-allyl-2,6-dimethyl-pyrimidin-4-yl)ammonio]pentanedioate CAS Name: (2R)-2-[(2,6-dimethyl-5-prop-2-enyl-4-pyrimidinyl)ammonio]pentanedioate IUPAC Name: (2R)-2-[(2,6-dimethyl-5-prop-2-enylpyrimidin-4-yl)azaniumyl]pentanedioate Traditional Name: (2R)-2-[(5-allyl-2,6-dimethyl-pyrimidin-4-yl)ammonio]glutarate Formula: C14H18N3O4- MolecularWeight: 292.31042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)[NH2+]C(CCC(=O)[O-])C(=O)[O-])CC=C

Isomeric SMILES

CC1=C(C(=NC(=N1)C)[NH2+][C@H](CCC(=O)[O-])C(=O)[O-])CC=C

InChI

InChI=1S/C14H19N3O4/c1-4-5-10-8(2)15-9(3)16-13(10)17-11(14(20)21)6-7-12(18)19/h4,11H,1,5-7H2,2-3H3,(H,18,19)(H,20,21)(H,15,16,17)/p-1/t11-/m1/s1