1-[(2,4-dichlorophenyl)methyl]-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]pyrazolo[3,4-d]pyrimidin-4-amine

Systemtic Name: 1-[(2,4-dichlorophenyl)methyl]-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: 1-[(2,4-dichlorophenyl)methyl]-N-[(E)-(5-nitro-2-furyl)methyleneamino]pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: 1-[(2,4-dichlorophenyl)methyl]-N-[(E)-(5-nitro-2-furanyl)methylideneamino]-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: 1-[(2,4-dichlorophenyl)methyl]-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]pyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: [1-(2,4-dichlorobenzyl)pyrazolo[3,4-d]pyrimidin-4-yl]-[(E)-(5-nitro-2-furyl)methyleneamino]amine Formula: C17H11Cl2N7O3 MolecularWeight: 432.22034

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Cl)Cl)CN2C3=C(C=N2)C(=NC=N3)NN=CC4=CC=C(O4)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1Cl)Cl)CN2C3=C(C=N2)C(=NC=N3)N/N=C/C4=CC=C(O4)[N+](=O)[O-]

InChI

InChI=1S/C17H11Cl2N7O3/c18-11-2-1-10(14(19)5-11)8-25-17-13(7-23-25)16(20-9-21-17)24-22-6-12-3-4-15(29-12)26(27)28/h1-7,9H,8H2,(H,20,21,24)/b22-6+