5-azanyl-1-phenyl-6-phenylazanyl-3-(phenylmethylsulfanyl)pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 5-azanyl-1-phenyl-6-phenylazanyl-3-(phenylmethylsulfanyl)pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 5-amino-6-anilino-3-benzylsulfanyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 5-amino-6-anilino-1-phenyl-3-(phenylmethylthio)-4-pyrazolo[3,4-d]pyrimidinone IUPAC Name: 5-amino-6-anilino-3-benzylsulfanyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 5-amino-6-anilino-3-(benzylthio)-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-one Formula: C24H20N6OS MolecularWeight: 440.5202

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NN(C3=C2C(=O)N(C(=N3)NC4=CC=CC=C4)N)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NN(C3=C2C(=O)N(C(=N3)NC4=CC=CC=C4)N)C5=CC=CC=C5

InChI

InChI=1S/C24H20N6OS/c25-29-23(31)20-21(27-24(29)26-18-12-6-2-7-13-18)30(19-14-8-3-9-15-19)28-22(20)32-16-17-10-4-1-5-11-17/h1-15H,16,25H2,(H,26,27)