3-[7-chloranyl-3-(2-fluoranyl-4-methoxy-phenyl)-4-methyl-2-oxidanylidene-4H-pyrimido[4,5-d]pyrimidin-1-yl]benzenecarbonitrile

Systemtic Name: 3-[7-chloranyl-3-(2-fluoranyl-4-methoxy-phenyl)-4-methyl-2-oxidanylidene-4H-pyrimido[4,5-d]pyrimidin-1-yl]benzenecarbonitrile Openeye Name: 3-[7-chloro-3-(2-fluoro-4-methoxy-phenyl)-4-methyl-2-oxo-4H-pyrimido[4,5-d]pyrimidin-1-yl]benzonitrile CAS Name: 3-[7-chloro-3-(2-fluoro-4-methoxyphenyl)-4-methyl-2-oxo-4H-pyrimido[4,5-d]pyrimidin-1-yl]benzonitrile IUPAC Name: 3-[7-chloro-3-(2-fluoro-4-methoxyphenyl)-4-methyl-2-oxo-4H-pyrimido[4,5-d]pyrimidin-1-yl]benzonitrile Traditional Name: 3-[7-chloro-3-(2-fluoro-4-methoxy-phenyl)-2-keto-4-methyl-4H-pyrimido[4,5-d]pyrimidin-1-yl]benzonitrile Formula: C21H15ClFN5O2 MolecularWeight: 423.827503

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=CN=C(N=C2N(C(=O)N1C3=C(C=C(C=C3)OC)F)C4=CC=CC(=C4)C#N)Cl

Isomeric SMILES

CC1C2=CN=C(N=C2N(C(=O)N1C3=C(C=C(C=C3)OC)F)C4=CC=CC(=C4)C#N)Cl

InChI

InChI=1S/C21H15ClFN5O2/c1-12-16-11-25-20(22)26-19(16)28(14-5-3-4-13(8-14)10-24)21(29)27(12)18-7-6-15(30-2)9-17(18)23/h3-9,11-12H,1-2H3