(E)-3-[2-(naphthalen-1-ylamino)pyrimidin-5-yl]prop-2-enoic acid

Systemtic Name: (E)-3-[2-(naphthalen-1-ylamino)pyrimidin-5-yl]prop-2-enoic acid Openeye Name: (E)-3-[2-(1-naphthylamino)pyrimidin-5-yl]prop-2-enoic acid CAS Name: (E)-3-[2-(1-naphthalenylamino)-5-pyrimidinyl]-2-propenoic acid IUPAC Name: (E)-3-[2-(naphthalen-1-ylamino)pyrimidin-5-yl]prop-2-enoic acid Traditional Name: (E)-3-[2-(1-naphthylamino)pyrimidin-5-yl]acrylic acid Formula: C17H13N3O2 MolecularWeight: 291.30402

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2NC3=NC=C(C=N3)C=CC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2NC3=NC=C(C=N3)/C=C/C(=O)O

InChI

InChI=1S/C17H13N3O2/c21-16(22)9-8-12-10-18-17(19-11-12)20-15-7-3-5-13-4-1-2-6-14(13)15/h1-11H,(H,21,22)(H,18,19,20)/b9-8+