3-[[4-[(4-chlorophenyl)amino]-6-methyl-2-phenyl-pyrimidin-5-yl]methoxy]propane-1,2-diol

Systemtic Name: 3-[[4-[(4-chlorophenyl)amino]-6-methyl-2-phenyl-pyrimidin-5-yl]methoxy]propane-1,2-diol Openeye Name: 3-[[4-(4-chloroanilino)-6-methyl-2-phenyl-pyrimidin-5-yl]methoxy]propane-1,2-diol CAS Name: 3-[[4-(4-chloroanilino)-6-methyl-2-phenyl-5-pyrimidinyl]methoxy]propane-1,2-diol IUPAC Name: 3-[[4-(4-chloroanilino)-6-methyl-2-phenylpyrimidin-5-yl]methoxy]propane-1,2-diol Traditional Name: 3-[[4-(4-chloroanilino)-6-methyl-2-phenyl-pyrimidin-5-yl]methoxy]propane-1,2-diol Formula: C21H22ClN3O3 MolecularWeight: 399.87068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=CC=C2)NC3=CC=C(C=C3)Cl)COCC(CO)O

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=CC=C2)NC3=CC=C(C=C3)Cl)COCC(CO)O

InChI

InChI=1S/C21H22ClN3O3/c1-14-19(13-28-12-18(27)11-26)21(24-17-9-7-16(22)8-10-17)25-20(23-14)15-5-3-2-4-6-15/h2-10,18,26-27H,11-13H2,1H3,(H,23,24,25)