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

Systemtic Name: N4-(4-chloranyl-2-methyl-phenyl)-1-methyl-N6-phenethyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine Openeye Name: N4-(4-chloro-2-methyl-phenyl)-1-methyl-N6-phenethyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine CAS Name: N4-(4-chloro-2-methylphenyl)-1-methyl-N6-phenethylpyrazolo[3,4-d]pyrimidine-4,6-diamine IUPAC Name: 4-N-(4-chloro-2-methylphenyl)-1-methyl-6-N-phenethylpyrazolo[3,4-d]pyrimidine-4,6-diamine Traditional Name: [4-(4-chloro-2-methyl-anilino)-1-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]-phenethyl-amine Formula: C21H21ClN6 MolecularWeight: 392.88464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)NC2=NC(=NC3=C2C=NN3C)NCCC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)NC2=NC(=NC3=C2C=NN3C)NCCC4=CC=CC=C4

InChI

InChI=1S/C21H21ClN6/c1-14-12-16(22)8-9-18(14)25-19-17-13-24-28(2)20(17)27-21(26-19)23-11-10-15-6-4-3-5-7-15/h3-9,12-13H,10-11H2,1-2H3,(H2,23,25,26,27)