(E)-3-[2-(propylamino)pyrimidin-5-yl]prop-2-enoic acid

Systemtic Name: (E)-3-[2-(propylamino)pyrimidin-5-yl]prop-2-enoic acid Openeye Name: (E)-3-[2-(propylamino)pyrimidin-5-yl]prop-2-enoic acid CAS Name: (E)-3-[2-(propylamino)-5-pyrimidinyl]-2-propenoic acid IUPAC Name: (E)-3-[2-(propylamino)pyrimidin-5-yl]prop-2-enoic acid Traditional Name: (E)-3-[2-(propylamino)pyrimidin-5-yl]acrylic acid Formula: C10H13N3O2 MolecularWeight: 207.22912

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=NC=C(C=N1)C=CC(=O)O

Isomeric SMILES

CCCNC1=NC=C(C=N1)/C=C/C(=O)O

InChI

InChI=1S/C10H13N3O2/c1-2-5-11-10-12-6-8(7-13-10)3-4-9(14)15/h3-4,6-7H,2,5H2,1H3,(H,14,15)(H,11,12,13)/b4-3+