2-butyl-5-methoxy-6-methyl-3-pyrimidin-5-yl-cyclohexa-2,5-diene-1,4-dione

Systemtic Name: 2-butyl-5-methoxy-6-methyl-3-pyrimidin-5-yl-cyclohexa-2,5-diene-1,4-dione Openeye Name: 2-butyl-5-methoxy-6-methyl-3-pyrimidin-5-yl-1,4-benzoquinone CAS Name: 2-butyl-5-methoxy-6-methyl-3-(5-pyrimidinyl)cyclohexa-2,5-diene-1,4-dione IUPAC Name: 2-butyl-5-methoxy-6-methyl-3-pyrimidin-5-ylcyclohexa-2,5-diene-1,4-dione Traditional Name: 2-butyl-5-methoxy-6-methyl-3-(5-pyrimidyl)-p-benzoquinone Formula: C16H18N2O3 MolecularWeight: 286.32572

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=O)C(=C(C1=O)C)OC)C2=CN=CN=C2

Isomeric SMILES

CCCCC1=C(C(=O)C(=C(C1=O)C)OC)C2=CN=CN=C2

InChI

InChI=1S/C16H18N2O3/c1-4-5-6-12-13(11-7-17-9-18-8-11)15(20)16(21-3)10(2)14(12)19/h7-9H,4-6H2,1-3H3