1-ethoxy-4-methyl-6-oxidanylidene-2-(phenylmethyl)-3-pyrimidin-2-yl-cyclohexa-2,4-diene-1-carbaldehyde

Systemtic Name: 1-ethoxy-4-methyl-6-oxidanylidene-2-(phenylmethyl)-3-pyrimidin-2-yl-cyclohexa-2,4-diene-1-carbaldehyde Openeye Name: 2-benzyl-1-ethoxy-4-methyl-6-oxo-3-pyrimidin-2-yl-cyclohexa-2,4-diene-1-carbaldehyde CAS Name: 1-ethoxy-4-methyl-6-oxo-2-(phenylmethyl)-3-(2-pyrimidinyl)-1-cyclohexa-2,4-dienecarboxaldehyde IUPAC Name: 2-benzyl-1-ethoxy-4-methyl-6-oxo-3-pyrimidin-2-ylcyclohexa-2,4-diene-1-carbaldehyde Traditional Name: 2-benzyl-1-ethoxy-6-keto-4-methyl-3-(2-pyrimidyl)cyclohexa-2,4-diene-1-carbaldehyde Formula: C21H20N2O3 MolecularWeight: 348.3951

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1(C(=O)C=C(C(=C1CC2=CC=CC=C2)C3=NC=CC=N3)C)C=O

Isomeric SMILES

CCOC1(C(=O)C=C(C(=C1CC2=CC=CC=C2)C3=NC=CC=N3)C)C=O

InChI

InChI=1S/C21H20N2O3/c1-3-26-21(14-24)17(13-16-8-5-4-6-9-16)19(15(2)12-18(21)25)20-22-10-7-11-23-20/h4-12,14H,3,13H2,1-2H3