4-[1-(3,4-dichlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxychromen-2-one

Systemtic Name: 4-[1-(3,4-dichlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxychromen-2-one Openeye Name: 4-[1-(3,4-dichlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxychromen-2-one CAS Name: 4-[[1-(3,4-dichlorophenyl)-4-pyrazolo[3,4-d]pyrimidinyl]oxy]-1-benzopyran-2-one IUPAC Name: 4-[1-(3,4-dichlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxychromen-2-one Traditional Name: 4-[1-(3,4-dichlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxycoumarin Formula: C20H10Cl2N4O3 MolecularWeight: 425.2244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=O)O2)OC3=NC=NC4=C3C=NN4C5=CC(=C(C=C5)Cl)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=O)O2)OC3=NC=NC4=C3C=NN4C5=CC(=C(C=C5)Cl)Cl

InChI

InChI=1S/C20H10Cl2N4O3/c21-14-6-5-11(7-15(14)22)26-19-13(9-25-26)20(24-10-23-19)29-17-8-18(27)28-16-4-2-1-3-12(16)17/h1-10H