N4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-N1-phenyl-benzene-1,4-diamine

Systemtic Name: N4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-N1-phenyl-benzene-1,4-diamine Openeye Name: N4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-N1-phenyl-benzene-1,4-diamine CAS Name: N4-(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)-N1-phenylbenzene-1,4-diamine IUPAC Name: 4-N-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-1-N-phenylbenzene-1,4-diamine Traditional Name: (4-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=C(C=C3)NC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)NC3=CC=C(C=C3)NC4=CC=CC=C4

InChI

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