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

Systemtic Name: N4-(4-chloranyl-2-methyl-phenyl)-N6-(furan-2-ylmethyl)-1-methyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine Openeye Name: N4-(4-chloro-2-methyl-phenyl)-N6-(2-furylmethyl)-1-methyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine CAS Name: N4-(4-chloro-2-methylphenyl)-N6-(2-furanylmethyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine IUPAC Name: 4-N-(4-chloro-2-methylphenyl)-6-N-(furan-2-ylmethyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine Traditional Name: [4-(4-chloro-2-methyl-anilino)-1-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]-(2-furfuryl)amine Formula: C18H17ClN6O MolecularWeight: 368.82018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)NC2=NC(=NC3=C2C=NN3C)NCC4=CC=CO4

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)NC2=NC(=NC3=C2C=NN3C)NCC4=CC=CO4

InChI

InChI=1S/C18H17ClN6O/c1-11-8-12(19)5-6-15(11)22-16-14-10-21-25(2)17(14)24-18(23-16)20-9-13-4-3-7-26-13/h3-8,10H,9H2,1-2H3,(H2,20,22,23,24)