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

Systemtic Name: N4-(3-chloranyl-4-methoxy-phenyl)-N6-(furan-2-ylmethyl)-1-methyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine Openeye Name: N4-(3-chloro-4-methoxy-phenyl)-N6-(2-furylmethyl)-1-methyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine CAS Name: N4-(3-chloro-4-methoxyphenyl)-N6-(2-furanylmethyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine IUPAC Name: 4-N-(3-chloro-4-methoxyphenyl)-6-N-(furan-2-ylmethyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine Traditional Name: [4-(3-chloro-4-methoxy-anilino)-1-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]-(2-furfuryl)amine Formula: C18H17ClN6O2 MolecularWeight: 384.81958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17ClN6O2/c1-25-17-13(10-21-25)16(22-11-5-6-15(26-2)14(19)8-11)23-18(24-17)20-9-12-4-3-7-27-12/h3-8,10H,9H2,1-2H3,(H2,20,22,23,24)