5-(4-butoxyphenyl)-2-methylsulfonyl-pyrimidine

Systemtic Name: 5-(4-butoxyphenyl)-2-methylsulfonyl-pyrimidine Openeye Name: 5-(4-butoxyphenyl)-2-methylsulfonyl-pyrimidine CAS Name: 5-(4-butoxyphenyl)-2-methylsulfonylpyrimidine IUPAC Name: 5-(4-butoxyphenyl)-2-methylsulfonylpyrimidine Traditional Name: 5-(4-butoxyphenyl)-2-mesyl-pyrimidine Formula: C15H18N2O3S MolecularWeight: 306.38002

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=CN=C(N=C2)S(=O)(=O)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=CN=C(N=C2)S(=O)(=O)C

InChI

InChI=1S/C15H18N2O3S/c1-3-4-9-20-14-7-5-12(6-8-14)13-10-16-15(17-11-13)21(2,18)19/h5-8,10-11H,3-4,9H2,1-2H3