7-[1-(5-chloranyl-2-methyl-phenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxy-4-methyl-chromen-2-one

Systemtic Name: 7-[1-(5-chloranyl-2-methyl-phenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxy-4-methyl-chromen-2-one Openeye Name: 7-[1-(5-chloro-2-methyl-phenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxy-4-methyl-chromen-2-one CAS Name: 7-[[1-(5-chloro-2-methylphenyl)-4-pyrazolo[3,4-d]pyrimidinyl]oxy]-4-methyl-1-benzopyran-2-one IUPAC Name: 7-[1-(5-chloro-2-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxy-4-methylchromen-2-one Traditional Name: 7-[1-(5-chloro-2-methyl-phenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxy-4-methyl-coumarin Formula: C22H15ClN4O3 MolecularWeight: 418.8325

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2C3=C(C=N2)C(=NC=N3)OC4=CC5=C(C=C4)C(=CC(=O)O5)C

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2C3=C(C=N2)C(=NC=N3)OC4=CC5=C(C=C4)C(=CC(=O)O5)C

InChI

InChI=1S/C22H15ClN4O3/c1-12-3-4-14(23)8-18(12)27-21-17(10-26-27)22(25-11-24-21)29-15-5-6-16-13(2)7-20(28)30-19(16)9-15/h3-11H,1-2H3