5-azanyl-6-[(3-chlorophenyl)amino]-3-methylsulfanyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 5-azanyl-6-[(3-chlorophenyl)amino]-3-methylsulfanyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 5-amino-6-(3-chloroanilino)-3-methylsulfanyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 5-amino-6-(3-chloroanilino)-3-(methylthio)-1-phenyl-4-pyrazolo[3,4-d]pyrimidinone IUPAC Name: 5-amino-6-(3-chloroanilino)-3-methylsulfanyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 5-amino-6-(3-chloroanilino)-3-(methylthio)-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-one Formula: C18H15ClN6OS MolecularWeight: 398.8693

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NN(C2=C1C(=O)N(C(=N2)NC3=CC(=CC=C3)Cl)N)C4=CC=CC=C4

Isomeric SMILES

CSC1=NN(C2=C1C(=O)N(C(=N2)NC3=CC(=CC=C3)Cl)N)C4=CC=CC=C4

InChI

InChI=1S/C18H15ClN6OS/c1-27-16-14-15(25(23-16)13-8-3-2-4-9-13)22-18(24(20)17(14)26)21-12-7-5-6-11(19)10-12/h2-10H,20H2,1H3,(H,21,22)