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

Systemtic Name: N4-(3-chlorophenyl)-N6-(furan-2-ylmethyl)-1-methyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine Openeye Name: N4-(3-chlorophenyl)-N6-(2-furylmethyl)-1-methyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine CAS Name: N4-(3-chlorophenyl)-N6-(2-furanylmethyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine IUPAC Name: 4-N-(3-chlorophenyl)-6-N-(furan-2-ylmethyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine Traditional Name: [4-(3-chloroanilino)-1-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]-(2-furfuryl)amine Formula: C17H15ClN6O MolecularWeight: 354.7936

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC(=N2)NCC3=CC=CO3)NC4=CC(=CC=C4)Cl

Isomeric SMILES

CN1C2=C(C=N1)C(=NC(=N2)NCC3=CC=CO3)NC4=CC(=CC=C4)Cl

InChI

InChI=1S/C17H15ClN6O/c1-24-16-14(10-20-24)15(21-12-5-2-4-11(18)8-12)22-17(23-16)19-9-13-6-3-7-25-13/h2-8,10H,9H2,1H3,(H2,19,21,22,23)