2-[(4-tert-butylphenoxy)methyl]-6-[(2-chlorophenyl)amino]-1H-pyrimidin-4-one

Systemtic Name: 2-[(4-tert-butylphenoxy)methyl]-6-[(2-chlorophenyl)amino]-1H-pyrimidin-4-one Openeye Name: 2-[(4-tert-butylphenoxy)methyl]-6-(2-chloroanilino)-1H-pyrimidin-4-one CAS Name: 2-[(4-tert-butylphenoxy)methyl]-6-(2-chloroanilino)-1H-pyrimidin-4-one IUPAC Name: 2-[(4-tert-butylphenoxy)methyl]-6-(2-chloroanilino)-1H-pyrimidin-4-one Traditional Name: 2-[(4-tert-butylphenoxy)methyl]-6-(2-chloroanilino)-1H-pyrimidin-4-one Formula: C21H22ClN3O2 MolecularWeight: 383.87128

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCC2=NC(=O)C=C(N2)NC3=CC=CC=C3Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCC2=NC(=O)C=C(N2)NC3=CC=CC=C3Cl

InChI

InChI=1S/C21H22ClN3O2/c1-21(2,3)14-8-10-15(11-9-14)27-13-19-24-18(12-20(26)25-19)23-17-7-5-4-6-16(17)22/h4-12H,13H2,1-3H3,(H2,23,24,25,26)