5-[2,4-bis(oxidanylidene)-3-(phenylcarbonyl)pyrimidin-1-yl]pentyl benzoate

Systemtic Name: 5-[2,4-bis(oxidanylidene)-3-(phenylcarbonyl)pyrimidin-1-yl]pentyl benzoate Openeye Name: 5-(3-benzoyl-2,4-dioxo-pyrimidin-1-yl)pentyl benzoate CAS Name: benzoic acid 5-(3-benzoyl-2,4-dioxo-1-pyrimidinyl)pentyl ester IUPAC Name: 5-(3-benzoyl-2,4-dioxopyrimidin-1-yl)pentyl benzoate Traditional Name: benzoic acid 5-(3-benzoyl-2,4-diketo-pyrimidin-1-yl)pentyl ester Formula: C23H22N2O5 MolecularWeight: 406.43118

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)N2C(=O)C=CN(C2=O)CCCCCOC(=O)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C(=O)N2C(=O)C=CN(C2=O)CCCCCOC(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H22N2O5/c26-20-14-16-24(23(29)25(20)21(27)18-10-4-1-5-11-18)15-8-3-9-17-30-22(28)19-12-6-2-7-13-19/h1-2,4-7,10-14,16H,3,8-9,15,17H2