(Z)-2-[2-(1-azanylethyl)-5-phenyl-pyrimidin-4-yl]but-2-enedioate

Systemtic Name: (Z)-2-[2-(1-azanylethyl)-5-phenyl-pyrimidin-4-yl]but-2-enedioate Openeye Name: (Z)-2-[2-(1-aminoethyl)-5-phenyl-pyrimidin-4-yl]but-2-enedioate CAS Name: (Z)-2-[2-(1-aminoethyl)-5-phenyl-4-pyrimidinyl]-2-butenedioate IUPAC Name: (Z)-2-[2-(1-aminoethyl)-5-phenylpyrimidin-4-yl]but-2-enedioate Traditional Name: (Z)-2-[2-(1-aminoethyl)-5-phenyl-pyrimidin-4-yl]but-2-enedioate Formula: C16H13N3O4-2 MolecularWeight: 311.29212

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC=C(C(=N1)C(=CC(=O)[O-])C(=O)[O-])C2=CC=CC=C2)N

Isomeric SMILES

CC(C1=NC=C(C(=N1)/C(=C/C(=O)[O-])/C(=O)[O-])C2=CC=CC=C2)N

InChI

InChI=1S/C16H15N3O4/c1-9(17)15-18-8-12(10-5-3-2-4-6-10)14(19-15)11(16(22)23)7-13(20)21/h2-9H,17H2,1H3,(H,20,21)(H,22,23)/p-2/b11-7-