N4-(3-chlorophenyl)-N6-(furan-2-ylmethyl)-1-phenyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine

Systemtic Name: N4-(3-chlorophenyl)-N6-(furan-2-ylmethyl)-1-phenyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine Openeye Name: N4-(3-chlorophenyl)-N6-(2-furylmethyl)-1-phenyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine CAS Name: N4-(3-chlorophenyl)-N6-(2-furanylmethyl)-1-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine IUPAC Name: 4-N-(3-chlorophenyl)-6-N-(furan-2-ylmethyl)-1-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine Traditional Name: [4-(3-chloroanilino)-1-phenyl-pyrazolo[3,4-d]pyrimidin-6-yl]-(2-furfuryl)amine Formula: C22H17ClN6O MolecularWeight: 416.86298

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC(=N3)NCC4=CC=CO4)NC5=CC(=CC=C5)Cl

Isomeric SMILES

C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC(=N3)NCC4=CC=CO4)NC5=CC(=CC=C5)Cl

InChI

InChI=1S/C22H17ClN6O/c23-15-6-4-7-16(12-15)26-20-19-14-25-29(17-8-2-1-3-9-17)21(19)28-22(27-20)24-13-18-10-5-11-30-18/h1-12,14H,13H2,(H2,24,26,27,28)