5-[[6-methyl-4-oxidanylidene-2-(phenylmethyl)-1H-pyrimidin-5-yl]methyl]furan-2-carboxylic acid

Systemtic Name: 5-[[6-methyl-4-oxidanylidene-2-(phenylmethyl)-1H-pyrimidin-5-yl]methyl]furan-2-carboxylic acid Openeye Name: 5-[(2-benzyl-6-methyl-4-oxo-1H-pyrimidin-5-yl)methyl]furan-2-carboxylic acid CAS Name: 5-[[6-methyl-4-oxo-2-(phenylmethyl)-1H-pyrimidin-5-yl]methyl]-2-furancarboxylic acid IUPAC Name: 5-[(2-benzyl-6-methyl-4-oxo-1H-pyrimidin-5-yl)methyl]furan-2-carboxylic acid Traditional Name: 5-[(2-benzyl-4-keto-6-methyl-1H-pyrimidin-5-yl)methyl]-2-furoic acid Formula: C18H16N2O4 MolecularWeight: 324.33064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)CC2=CC=CC=C2)CC3=CC=C(O3)C(=O)O

Isomeric SMILES

CC1=C(C(=O)N=C(N1)CC2=CC=CC=C2)CC3=CC=C(O3)C(=O)O

InChI

InChI=1S/C18H16N2O4/c1-11-14(10-13-7-8-15(24-13)18(22)23)17(21)20-16(19-11)9-12-5-3-2-4-6-12/h2-8H,9-10H2,1H3,(H,22,23)(H,19,20,21)