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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1C(=O)N)NC2=NC=NC=C2)NC3=NC=NC=C3

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1C(=O)N)NC2=NC=NC=C2)NC3=NC=NC=C3

InChI

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