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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=NC=C(C=N1)C=CC(=O)O

Isomeric SMILES

CC(C)NC1=NC=C(C=N1)/C=C/C(=O)O

InChI

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