2-[(4-tert-butylphenoxy)methyl]-5-(phenylsulfonyl)pyrimidin-4-amine

Systemtic Name: 2-[(4-tert-butylphenoxy)methyl]-5-(phenylsulfonyl)pyrimidin-4-amine Openeye Name: 5-(benzenesulfonyl)-2-[(4-tert-butylphenoxy)methyl]pyrimidin-4-amine CAS Name: 5-(benzenesulfonyl)-2-[(4-tert-butylphenoxy)methyl]-4-pyrimidinamine IUPAC Name: 5-(benzenesulfonyl)-2-[(4-tert-butylphenoxy)methyl]pyrimidin-4-amine Traditional Name: [5-besyl-2-[(4-tert-butylphenoxy)methyl]pyrimidin-4-yl]amine Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCC2=NC=C(C(=N2)N)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCC2=NC=C(C(=N2)N)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H23N3O3S/c1-21(2,3)15-9-11-16(12-10-15)27-14-19-23-13-18(20(22)24-19)28(25,26)17-7-5-4-6-8-17/h4-13H,14H2,1-3H3,(H2,22,23,24)