2-[1-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylethyl]-1H-quinazolin-4-one

Systemtic Name: 2-[1-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylethyl]-1H-quinazolin-4-one Openeye Name: 2-[1-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylethyl]-1H-quinazolin-4-one CAS Name: 2-[1-[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]ethyl]-1H-quinazolin-4-one IUPAC Name: 2-[1-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylethyl]-1H-quinazolin-4-one Traditional Name: 2-[1-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]ethyl]-1H-quinazolin-4-one Formula: C21H16N6OS MolecularWeight: 400.45634

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=O)C2=CC=CC=C2N1)SC3=NC=NC4=C3C=NN4C5=CC=CC=C5

Isomeric SMILES

CC(C1=NC(=O)C2=CC=CC=C2N1)SC3=NC=NC4=C3C=NN4C5=CC=CC=C5

InChI

InChI=1S/C21H16N6OS/c1-13(18-25-17-10-6-5-9-15(17)20(28)26-18)29-21-16-11-24-27(19(16)22-12-23-21)14-7-3-2-4-8-14/h2-13H,1H3,(H,25,26,28)