ethyl (E)-2-aminocarbonyl-3-[(2-pyridin-4-ylpyrimidin-4-yl)amino]prop-2-enoate

Systemtic Name: ethyl (E)-2-aminocarbonyl-3-[(2-pyridin-4-ylpyrimidin-4-yl)amino]prop-2-enoate Openeye Name: ethyl (E)-2-carbamoyl-3-[[2-(4-pyridyl)pyrimidin-4-yl]amino]prop-2-enoate CAS Name: (E)-2-carbamoyl-3-[(2-pyridin-4-yl-4-pyrimidinyl)amino]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-2-carbamoyl-3-[(2-pyridin-4-ylpyrimidin-4-yl)amino]prop-2-enoate Traditional Name: (E)-2-carbamoyl-3-[[2-(4-pyridyl)pyrimidin-4-yl]amino]acrylic acid ethyl ester Formula: C15H15N5O3 MolecularWeight: 313.3113

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CNC1=NC(=NC=C1)C2=CC=NC=C2)C(=O)N

Isomeric SMILES

CCOC(=O)/C(=C/NC1=NC(=NC=C1)C2=CC=NC=C2)/C(=O)N

InChI

InChI=1S/C15H15N5O3/c1-2-23-15(22)11(13(16)21)9-19-12-5-8-18-14(20-12)10-3-6-17-7-4-10/h3-9H,2H2,1H3,(H2,16,21)(H,18,19,20)/b11-9+