(E)-3-[4-(ethylamino)-2-phenylazanyl-pyrimidin-5-yl]but-2-enoic acid

Systemtic Name: (E)-3-[4-(ethylamino)-2-phenylazanyl-pyrimidin-5-yl]but-2-enoic acid Openeye Name: (E)-3-[2-anilino-4-(ethylamino)pyrimidin-5-yl]but-2-enoic acid CAS Name: (E)-3-[2-anilino-4-(ethylamino)-5-pyrimidinyl]-2-butenoic acid IUPAC Name: (E)-3-[2-anilino-4-(ethylamino)pyrimidin-5-yl]but-2-enoic acid Traditional Name: (E)-3-[2-anilino-4-(ethylamino)pyrimidin-5-yl]but-2-enoic acid Formula: C16H18N4O2 MolecularWeight: 298.33972

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC(=NC=C1C(=CC(=O)O)C)NC2=CC=CC=C2

Isomeric SMILES

CCNC1=NC(=NC=C1/C(=C/C(=O)O)/C)NC2=CC=CC=C2

InChI

InChI=1S/C16H18N4O2/c1-3-17-15-13(11(2)9-14(21)22)10-18-16(20-15)19-12-7-5-4-6-8-12/h4-10H,3H2,1-2H3,(H,21,22)(H2,17,18,19,20)/b11-9+