7-oxidanylidene-5-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile

Systemtic Name: 7-oxidanylidene-5-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile Openeye Name: 7-oxo-5-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile CAS Name: 7-oxo-5-[[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]methyl]-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile IUPAC Name: 7-oxo-5-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile Traditional Name: 7-keto-5-[[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]methyl]-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile Formula: C19H12N8OS MolecularWeight: 400.41658

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)SCC4=CC(=O)N5C(=N4)C(=CN5)C#N

Isomeric SMILES

C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)SCC4=CC(=O)N5C(=N4)C(=CN5)C#N

InChI

InChI=1S/C19H12N8OS/c20-7-12-8-23-27-16(28)6-13(25-17(12)27)10-29-19-15-9-24-26(18(15)21-11-22-19)14-4-2-1-3-5-14/h1-6,8-9,11,23H,10H2