4-azanyl-1-[(2,4-dichlorophenyl)methyl]pyrazolo[3,4-d]pyrimidine-3-carbonitrile

Systemtic Name: 4-azanyl-1-[(2,4-dichlorophenyl)methyl]pyrazolo[3,4-d]pyrimidine-3-carbonitrile Openeye Name: 4-amino-1-[(2,4-dichlorophenyl)methyl]pyrazolo[3,4-d]pyrimidine-3-carbonitrile CAS Name: 4-amino-1-[(2,4-dichlorophenyl)methyl]-3-pyrazolo[3,4-d]pyrimidinecarbonitrile IUPAC Name: 4-amino-1-[(2,4-dichlorophenyl)methyl]pyrazolo[3,4-d]pyrimidine-3-carbonitrile Traditional Name: 4-amino-1-(2,4-dichlorobenzyl)pyrazolo[3,4-d]pyrimidine-3-carbonitrile Formula: C13H8Cl2N6 MolecularWeight: 319.14882

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Cl)Cl)CN2C3=C(C(=N2)C#N)C(=NC=N3)N

Isomeric SMILES

C1=CC(=C(C=C1Cl)Cl)CN2C3=C(C(=N2)C#N)C(=NC=N3)N

InChI

InChI=1S/C13H8Cl2N6/c14-8-2-1-7(9(15)3-8)5-21-13-11(10(4-16)20-21)12(17)18-6-19-13/h1-3,6H,5H2,(H2,17,18,19)