methyl 4-azanyl-3-[2-[2-(methylamino)pyrimidin-4-yl]ethynyl]benzoate

Systemtic Name: methyl 4-azanyl-3-[2-[2-(methylamino)pyrimidin-4-yl]ethynyl]benzoate Openeye Name: methyl 4-amino-3-[2-[2-(methylamino)pyrimidin-4-yl]ethynyl]benzoate CAS Name: 4-amino-3-[2-[2-(methylamino)-4-pyrimidinyl]ethynyl]benzoic acid methyl ester IUPAC Name: methyl 4-amino-3-[2-[2-(methylamino)pyrimidin-4-yl]ethynyl]benzoate Traditional Name: 4-amino-3-[2-[2-(methylamino)pyrimidin-4-yl]ethynyl]benzoic acid methyl ester Formula: C15H14N4O2 MolecularWeight: 282.29726

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC=CC(=N1)C#CC2=C(C=CC(=C2)C(=O)OC)N

Isomeric SMILES

CNC1=NC=CC(=N1)C#CC2=C(C=CC(=C2)C(=O)OC)N

InChI

InChI=1S/C15H14N4O2/c1-17-15-18-8-7-12(19-15)5-3-10-9-11(14(20)21-2)4-6-13(10)16/h4,6-9H,16H2,1-2H3,(H,17,18,19)