3-[[4-(quinolin-3-ylamino)pyrimidin-2-yl]amino]benzamide

Systemtic Name: 3-[[4-(quinolin-3-ylamino)pyrimidin-2-yl]amino]benzamide Openeye Name: 3-[[4-(3-quinolylamino)pyrimidin-2-yl]amino]benzamide CAS Name: 3-[[4-(3-quinolinylamino)-2-pyrimidinyl]amino]benzamide IUPAC Name: 3-[[4-(quinolin-3-ylamino)pyrimidin-2-yl]amino]benzamide Traditional Name: 3-[[4-(3-quinolylamino)pyrimidin-2-yl]amino]benzamide Formula: C20H16N6O MolecularWeight: 356.38064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C=N2)NC3=NC(=NC=C3)NC4=CC=CC(=C4)C(=O)N

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C=N2)NC3=NC(=NC=C3)NC4=CC=CC(=C4)C(=O)N

InChI

InChI=1S/C20H16N6O/c21-19(27)14-5-3-6-15(11-14)25-20-22-9-8-18(26-20)24-16-10-13-4-1-2-7-17(13)23-12-16/h1-12H,(H2,21,27)(H2,22,24,25,26)