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

Systemtic Name: 1-[(2,4-dichlorophenyl)methyl]-3-methyl-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: 1-[(2,4-dichlorophenyl)methyl]-3-methyl-N-[(E)-(5-nitro-2-furyl)methyleneamino]pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: 1-[(2,4-dichlorophenyl)methyl]-3-methyl-N-[(E)-(5-nitro-2-furanyl)methylideneamino]-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: 1-[(2,4-dichlorophenyl)methyl]-3-methyl-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]pyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: [1-(2,4-dichlorobenzyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-4-yl]-[(E)-(5-nitro-2-furyl)methyleneamino]amine Formula: C18H13Cl2N7O3 MolecularWeight: 446.24692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C(=NC=N2)NN=CC3=CC=C(O3)[N+](=O)[O-])CC4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

CC1=NN(C2=C1C(=NC=N2)N/N=C/C3=CC=C(O3)[N+](=O)[O-])CC4=C(C=C(C=C4)Cl)Cl

InChI

InChI=1S/C18H13Cl2N7O3/c1-10-16-17(24-23-7-13-4-5-15(30-13)27(28)29)21-9-22-18(16)26(25-10)8-11-2-3-12(19)6-14(11)20/h2-7,9H,8H2,1H3,(H,21,22,24)/b23-7+