2-(1,3-benzoxazol-2-ylamino)-6-oxidanylidene-5-(phenylmethyl)-1H-pyrimidin-4-olate

Systemtic Name: 2-(1,3-benzoxazol-2-ylamino)-6-oxidanylidene-5-(phenylmethyl)-1H-pyrimidin-4-olate Openeye Name: 2-(1,3-benzoxazol-2-ylamino)-5-benzyl-6-oxo-1H-pyrimidin-4-olate CAS Name: 2-(1,3-benzoxazol-2-ylamino)-6-oxo-5-(phenylmethyl)-1H-pyrimidin-4-olate IUPAC Name: 2-(1,3-benzoxazol-2-ylamino)-5-benzyl-6-oxo-1H-pyrimidin-4-olate Traditional Name: 2-(1,3-benzoxazol-2-ylamino)-5-benzyl-6-keto-1H-pyrimidin-4-olate Formula: C18H13N4O3- MolecularWeight: 333.32082

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=C(N=C(NC2=O)NC3=NC4=CC=CC=C4O3)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CC2=C(N=C(NC2=O)NC3=NC4=CC=CC=C4O3)[O-]

InChI

InChI=1S/C18H14N4O3/c23-15-12(10-11-6-2-1-3-7-11)16(24)21-17(20-15)22-18-19-13-8-4-5-9-14(13)25-18/h1-9H,10H2,(H3,19,20,21,22,23,24)/p-1