2-butyl-1-ethoxy-4-methyl-6-oxidanylidene-3-pyrimidin-2-yl-cyclohexa-2,4-diene-1-carbaldehyde

Systemtic Name: 2-butyl-1-ethoxy-4-methyl-6-oxidanylidene-3-pyrimidin-2-yl-cyclohexa-2,4-diene-1-carbaldehyde Openeye Name: 2-butyl-1-ethoxy-4-methyl-6-oxo-3-pyrimidin-2-yl-cyclohexa-2,4-diene-1-carbaldehyde CAS Name: 2-butyl-1-ethoxy-4-methyl-6-oxo-3-(2-pyrimidinyl)-1-cyclohexa-2,4-dienecarboxaldehyde IUPAC Name: 2-butyl-1-ethoxy-4-methyl-6-oxo-3-pyrimidin-2-ylcyclohexa-2,4-diene-1-carbaldehyde Traditional Name: 2-butyl-1-ethoxy-6-keto-4-methyl-3-(2-pyrimidyl)cyclohexa-2,4-diene-1-carbaldehyde Formula: C18H22N2O3 MolecularWeight: 314.37888

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=CC(=O)C1(C=O)OCC)C)C2=NC=CC=N2

Isomeric SMILES

CCCCC1=C(C(=CC(=O)C1(C=O)OCC)C)C2=NC=CC=N2

InChI

InChI=1S/C18H22N2O3/c1-4-6-8-14-16(17-19-9-7-10-20-17)13(3)11-15(22)18(14,12-21)23-5-2/h7,9-12H,4-6,8H2,1-3H3