(E)-2-[(4-azanylpyrimidin-5-yl)amino]-3-(hydroxymethyl)-4-oxidanylidene-4-phenyl-but-2-enoic acid

Systemtic Name: (E)-2-[(4-azanylpyrimidin-5-yl)amino]-3-(hydroxymethyl)-4-oxidanylidene-4-phenyl-but-2-enoic acid Openeye Name: (E)-2-[(4-aminopyrimidin-5-yl)amino]-3-(hydroxymethyl)-4-oxo-4-phenyl-but-2-enoic acid CAS Name: (E)-2-[(4-amino-5-pyrimidinyl)amino]-3-(hydroxymethyl)-4-oxo-4-phenyl-2-butenoic acid IUPAC Name: (E)-2-[(4-aminopyrimidin-5-yl)amino]-3-(hydroxymethyl)-4-oxo-4-phenylbut-2-enoic acid Traditional Name: (E)-2-[(4-aminopyrimidin-5-yl)amino]-4-keto-3-methylol-4-phenyl-but-2-enoic acid Formula: C15H14N4O4 MolecularWeight: 314.29606

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C(=C(C(=O)O)NC2=CN=CN=C2N)CO

Isomeric SMILES

C1=CC=C(C=C1)C(=O)/C(=C(\C(=O)O)/NC2=CN=CN=C2N)/CO

InChI

InChI=1S/C15H14N4O4/c16-14-11(6-17-8-18-14)19-12(15(22)23)10(7-20)13(21)9-4-2-1-3-5-9/h1-6,8,19-20H,7H2,(H,22,23)(H2,16,17,18)/b12-10+