methyl 2-[2-(1,3-benzoxazol-2-ylamino)-4-oxidanylidene-1H-pyrimidin-6-yl]ethanoate

Systemtic Name: methyl 2-[2-(1,3-benzoxazol-2-ylamino)-4-oxidanylidene-1H-pyrimidin-6-yl]ethanoate Openeye Name: methyl 2-[2-(1,3-benzoxazol-2-ylamino)-4-oxo-1H-pyrimidin-6-yl]acetate CAS Name: 2-[2-(1,3-benzoxazol-2-ylamino)-4-oxo-1H-pyrimidin-6-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-(1,3-benzoxazol-2-ylamino)-4-oxo-1H-pyrimidin-6-yl]acetate Traditional Name: 2-[2-(1,3-benzoxazol-2-ylamino)-4-keto-1H-pyrimidin-6-yl]acetic acid methyl ester Formula: C14H12N4O4 MolecularWeight: 300.26948

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CC(=O)N=C(N1)NC2=NC3=CC=CC=C3O2

Isomeric SMILES

COC(=O)CC1=CC(=O)N=C(N1)NC2=NC3=CC=CC=C3O2

InChI

InChI=1S/C14H12N4O4/c1-21-12(20)7-8-6-11(19)17-13(15-8)18-14-16-9-4-2-3-5-10(9)22-14/h2-6H,7H2,1H3,(H2,15,16,17,18,19)