N2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-N1-phenyl-benzene-1,2-diamine

Systemtic Name: N2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-N1-phenyl-benzene-1,2-diamine Openeye Name: N2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-N1-phenyl-benzene-1,2-diamine CAS Name: N2-(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)-N1-phenylbenzene-1,2-diamine IUPAC Name: 2-N-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-1-N-phenylbenzene-1,2-diamine Traditional Name: (2-anilinophenyl)-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amine Formula: C18H16N6 MolecularWeight: 316.35984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)NC3=CC=CC=C3NC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)NC3=CC=CC=C3NC4=CC=CC=C4

InChI

InChI=1S/C18H16N6/c1-24-18-14(11-21-24)17(19-12-20-18)23-16-10-6-5-9-15(16)22-13-7-3-2-4-8-13/h2-12,22H,1H3,(H,19,20,23)