7-methyl-4-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]-6-propan-2-yl-chromen-2-one

Systemtic Name: 7-methyl-4-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]-6-propan-2-yl-chromen-2-one Openeye Name: 6-isopropyl-7-methyl-4-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]chromen-2-one CAS Name: 7-methyl-4-[[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]methyl]-6-propan-2-yl-1-benzopyran-2-one IUPAC Name: 7-methyl-4-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]-6-propan-2-ylchromen-2-one Traditional Name: 6-isopropyl-7-methyl-4-[[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]methyl]coumarin Formula: C25H22N4O2S MolecularWeight: 442.53278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NC=NC4=C3C=NN4C5=CC=CC=C5)C(C)C

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NC=NC4=C3C=NN4C5=CC=CC=C5)C(C)C

InChI

InChI=1S/C25H22N4O2S/c1-15(2)19-11-20-17(10-23(30)31-22(20)9-16(19)3)13-32-25-21-12-28-29(24(21)26-14-27-25)18-7-5-4-6-8-18/h4-12,14-15H,13H2,1-3H3