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

Systemtic Name: N6-(4-chloranyl-2-methyl-phenyl)-1-methyl-N4-(phenylmethyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine Openeye Name: N4-benzyl-N6-(4-chloro-2-methyl-phenyl)-1-methyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine CAS Name: N6-(4-chloro-2-methylphenyl)-1-methyl-N4-(phenylmethyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine IUPAC Name: 4-N-benzyl-6-N-(4-chloro-2-methylphenyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine Traditional Name: benzyl-[6-(4-chloro-2-methyl-anilino)-1-methyl-pyrazolo[3,4-d]pyrimidin-4-yl]amine Formula: C20H19ClN6 MolecularWeight: 378.85806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)NC2=NC3=C(C=NN3C)C(=N2)NCC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)NC2=NC3=C(C=NN3C)C(=N2)NCC4=CC=CC=C4

InChI

InChI=1S/C20H19ClN6/c1-13-10-15(21)8-9-17(13)24-20-25-18(16-12-23-27(2)19(16)26-20)22-11-14-6-4-3-5-7-14/h3-10,12H,11H2,1-2H3,(H2,22,24,25,26)