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

Systemtic Name: 4-[1-(5-chloranyl-2-methyl-phenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxychromen-2-one Openeye Name: 4-[1-(5-chloro-2-methyl-phenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxychromen-2-one CAS Name: 4-[[1-(5-chloro-2-methylphenyl)-4-pyrazolo[3,4-d]pyrimidinyl]oxy]-1-benzopyran-2-one IUPAC Name: 4-[1-(5-chloro-2-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxychromen-2-one Traditional Name: 4-[1-(5-chloro-2-methyl-phenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxycoumarin Formula: C21H13ClN4O3 MolecularWeight: 404.80592

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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=CC(=O)OC5=CC=CC=C54

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2C3=C(C=N2)C(=NC=N3)OC4=CC(=O)OC5=CC=CC=C54

InChI

InChI=1S/C21H13ClN4O3/c1-12-6-7-13(22)8-16(12)26-20-15(10-25-26)21(24-11-23-20)29-18-9-19(27)28-17-5-3-2-4-14(17)18/h2-11H,1H3