3-[3-[(4-azanyl-5-methyl-2-oxidanylidene-pyrimidin-1-yl)methyl]-6-bromanyl-2-fluoranyl-phenoxy]-5-chloranyl-benzenecarbonitrile

Systemtic Name: 3-[3-[(4-azanyl-5-methyl-2-oxidanylidene-pyrimidin-1-yl)methyl]-6-bromanyl-2-fluoranyl-phenoxy]-5-chloranyl-benzenecarbonitrile Openeye Name: 3-[3-[(4-amino-5-methyl-2-oxo-pyrimidin-1-yl)methyl]-6-bromo-2-fluoro-phenoxy]-5-chloro-benzonitrile CAS Name: 3-[3-[(4-amino-5-methyl-2-oxo-1-pyrimidinyl)methyl]-6-bromo-2-fluorophenoxy]-5-chlorobenzonitrile IUPAC Name: 3-[3-[(4-amino-5-methyl-2-oxopyrimidin-1-yl)methyl]-6-bromo-2-fluorophenoxy]-5-chlorobenzonitrile Traditional Name: 3-[3-[(4-amino-2-keto-5-methyl-pyrimidin-1-yl)methyl]-6-bromo-2-fluoro-phenoxy]-5-chloro-benzonitrile Formula: C19H13BrClFN4O2 MolecularWeight: 463.687523

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=O)N=C1N)CC2=C(C(=C(C=C2)Br)OC3=CC(=CC(=C3)C#N)Cl)F

Isomeric SMILES

CC1=CN(C(=O)N=C1N)CC2=C(C(=C(C=C2)Br)OC3=CC(=CC(=C3)C#N)Cl)F

InChI

InChI=1S/C19H13BrClFN4O2/c1-10-8-26(19(27)25-18(10)24)9-12-2-3-15(20)17(16(12)22)28-14-5-11(7-23)4-13(21)6-14/h2-6,8H,9H2,1H3,(H2,24,25,27)