5-[(6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl]-1-methyl-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 5-[(6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl]-1-methyl-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 5-[(6-chloro-7-methyl-2-oxo-chromen-4-yl)methyl]-1-methyl-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 5-[(6-chloro-7-methyl-2-oxo-1-benzopyran-4-yl)methyl]-1-methyl-4-pyrazolo[3,4-d]pyrimidinone IUPAC Name: 5-[(6-chloro-7-methyl-2-oxochromen-4-yl)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 5-[(6-chloro-2-keto-7-methyl-chromen-4-yl)methyl]-1-methyl-pyrazolo[3,4-d]pyrimidin-4-one Formula: C17H13ClN4O3 MolecularWeight: 356.76312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)CN3C=NC4=C(C3=O)C=NN4C)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)CN3C=NC4=C(C3=O)C=NN4C)Cl

InChI

InChI=1S/C17H13ClN4O3/c1-9-3-14-11(5-13(9)18)10(4-15(23)25-14)7-22-8-19-16-12(17(22)24)6-20-21(16)2/h3-6,8H,7H2,1-2H3