(Z)-2-[2-(1-azanyl-1-phenyl-ethyl)pyrimidin-4-yl]but-2-enedioic acid

Systemtic Name: (Z)-2-[2-(1-azanyl-1-phenyl-ethyl)pyrimidin-4-yl]but-2-enedioic acid Openeye Name: (Z)-2-[2-(1-amino-1-phenyl-ethyl)pyrimidin-4-yl]but-2-enedioic acid CAS Name: (Z)-2-[2-(1-amino-1-phenylethyl)-4-pyrimidinyl]-2-butenedioic acid IUPAC Name: (Z)-2-[2-(1-amino-1-phenylethyl)pyrimidin-4-yl]but-2-enedioic acid Traditional Name: (Z)-2-[2-(1-amino-1-phenyl-ethyl)pyrimidin-4-yl]but-2-enedioic acid Formula: C16H15N3O4 MolecularWeight: 313.308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)(C2=NC=CC(=N2)C(=CC(=O)O)C(=O)O)N

Isomeric SMILES

CC(C1=CC=CC=C1)(C2=NC=CC(=N2)/C(=C/C(=O)O)/C(=O)O)N

InChI

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