2-[4-[[2,4-bis(oxidanylidene)chromen-3-yl]-pyrimidin-2-yl-methyl]phenoxy]pyrimidine-5-carbonitrile

Systemtic Name: 2-[4-[[2,4-bis(oxidanylidene)chromen-3-yl]-pyrimidin-2-yl-methyl]phenoxy]pyrimidine-5-carbonitrile Openeye Name: 2-[4-[(2,4-dioxochroman-3-yl)-pyrimidin-2-yl-methyl]phenoxy]pyrimidine-5-carbonitrile CAS Name: 2-[4-[(2,4-dioxo-3,4-dihydro-2H-1-benzopyran-3-yl)-(2-pyrimidinyl)methyl]phenoxy]-5-pyrimidinecarbonitrile IUPAC Name: 2-[4-[(2,4-dioxochromen-3-yl)-pyrimidin-2-ylmethyl]phenoxy]pyrimidine-5-carbonitrile Traditional Name: 2-[4-[(2,4-diketochroman-3-yl)-(2-pyrimidyl)methyl]phenoxy]pyrimidine-5-carbonitrile Formula: C25H15N5O4 MolecularWeight: 449.4177

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C(C(=O)O2)C(C3=CC=C(C=C3)OC4=NC=C(C=N4)C#N)C5=NC=CC=N5

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C(C(=O)O2)C(C3=CC=C(C=C3)OC4=NC=C(C=N4)C#N)C5=NC=CC=N5

InChI

InChI=1S/C25H15N5O4/c26-12-15-13-29-25(30-14-15)33-17-8-6-16(7-9-17)20(23-27-10-3-11-28-23)21-22(31)18-4-1-2-5-19(18)34-24(21)32/h1-11,13-14,20-21H