7,8-dimethyl-4-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)oxymethyl]chromen-2-one

Systemtic Name: 7,8-dimethyl-4-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)oxymethyl]chromen-2-one Openeye Name: 7,8-dimethyl-4-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)oxymethyl]chromen-2-one CAS Name: 7,8-dimethyl-4-[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)oxymethyl]-1-benzopyran-2-one IUPAC Name: 7,8-dimethyl-4-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)oxymethyl]chromen-2-one Traditional Name: 7,8-dimethyl-4-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)oxymethyl]coumarin Formula: C23H18N4O3 MolecularWeight: 398.41402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC3=NC=NC4=C3C=NN4C5=CC=CC=C5)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC3=NC=NC4=C3C=NN4C5=CC=CC=C5)C

InChI

InChI=1S/C23H18N4O3/c1-14-8-9-18-16(10-20(28)30-21(18)15(14)2)12-29-23-19-11-26-27(22(19)24-13-25-23)17-6-4-3-5-7-17/h3-11,13H,12H2,1-2H3