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

Systemtic Name: N6-(3-chloranyl-4-methoxy-phenyl)-1-methyl-N4-(phenylmethyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine Openeye Name: N4-benzyl-N6-(3-chloro-4-methoxy-phenyl)-1-methyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine CAS Name: N6-(3-chloro-4-methoxyphenyl)-1-methyl-N4-(phenylmethyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine IUPAC Name: 4-N-benzyl-6-N-(3-chloro-4-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine Traditional Name: benzyl-[6-(3-chloro-4-methoxy-anilino)-1-methyl-pyrazolo[3,4-d]pyrimidin-4-yl]amine Formula: C20H19ClN6O MolecularWeight: 394.85746

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC(=N2)NC3=CC(=C(C=C3)OC)Cl)NCC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C=N1)C(=NC(=N2)NC3=CC(=C(C=C3)OC)Cl)NCC4=CC=CC=C4

InChI

InChI=1S/C20H19ClN6O/c1-27-19-15(12-23-27)18(22-11-13-6-4-3-5-7-13)25-20(26-19)24-14-8-9-17(28-2)16(21)10-14/h3-10,12H,11H2,1-2H3,(H2,22,24,25,26)