3-[[3-[2-[(3-chlorophenyl)amino]pyrimidin-4-yl]phenyl]amino]propan-1-ol

Systemtic Name: 3-[[3-[2-[(3-chlorophenyl)amino]pyrimidin-4-yl]phenyl]amino]propan-1-ol Openeye Name: 3-[3-[2-(3-chloroanilino)pyrimidin-4-yl]anilino]propan-1-ol CAS Name: 3-[3-[2-(3-chloroanilino)-4-pyrimidinyl]anilino]-1-propanol IUPAC Name: 3-[3-[2-(3-chloroanilino)pyrimidin-4-yl]anilino]propan-1-ol Traditional Name: 3-[3-[2-(3-chloroanilino)pyrimidin-4-yl]anilino]propan-1-ol Formula: C19H19ClN4O MolecularWeight: 354.83336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NCCCO)C2=NC(=NC=C2)NC3=CC(=CC=C3)Cl

Isomeric SMILES

C1=CC(=CC(=C1)NCCCO)C2=NC(=NC=C2)NC3=CC(=CC=C3)Cl

InChI

InChI=1S/C19H19ClN4O/c20-15-5-2-7-17(13-15)23-19-22-10-8-18(24-19)14-4-1-6-16(12-14)21-9-3-11-25/h1-2,4-8,10,12-13,21,25H,3,9,11H2,(H,22,23,24)