methyl 2-aminocarbonyl-4,5-bis(pyrimidin-2-ylamino)benzoate

Systemtic Name: methyl 2-aminocarbonyl-4,5-bis(pyrimidin-2-ylamino)benzoate Openeye Name: methyl 2-carbamoyl-4,5-bis(pyrimidin-2-ylamino)benzoate CAS Name: 2-carbamoyl-4,5-bis(2-pyrimidinylamino)benzoic acid methyl ester IUPAC Name: methyl 2-carbamoyl-4,5-bis(pyrimidin-2-ylamino)benzoate Traditional Name: 2-carbamoyl-4,5-bis(2-pyrimidylamino)benzoic acid methyl ester Formula: C17H15N7O3 MolecularWeight: 365.3461

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1C(=O)N)NC2=NC=CC=N2)NC3=NC=CC=N3

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1C(=O)N)NC2=NC=CC=N2)NC3=NC=CC=N3

InChI

InChI=1S/C17H15N7O3/c1-27-15(26)11-9-13(24-17-21-6-3-7-22-17)12(8-10(11)14(18)25)23-16-19-4-2-5-20-16/h2-9H,1H3,(H2,18,25)(H,19,20,23)(H,21,22,24)