1-[[4-(2-azanyl-6-phenyl-pyrimidin-4-yl)phenoxy]methyl]benzo[f]chromen-3-one

Systemtic Name: 1-[[4-(2-azanyl-6-phenyl-pyrimidin-4-yl)phenoxy]methyl]benzo[f]chromen-3-one Openeye Name: 1-[[4-(2-amino-6-phenyl-pyrimidin-4-yl)phenoxy]methyl]benzo[f]chromen-3-one CAS Name: 1-[[4-(2-amino-6-phenyl-4-pyrimidinyl)phenoxy]methyl]-3-benzo[f][1]benzopyranone IUPAC Name: 1-[[4-(2-amino-6-phenylpyrimidin-4-yl)phenoxy]methyl]benzo[f]chromen-3-one Traditional Name: 1-[[4-(2-amino-6-phenyl-pyrimidin-4-yl)phenoxy]methyl]benzo[f]chromen-3-one Formula: C30H21N3O3 MolecularWeight: 471.50604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=NC(=N2)N)C3=CC=C(C=C3)OCC4=CC(=O)OC5=C4C6=CC=CC=C6C=C5

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NC(=N2)N)C3=CC=C(C=C3)OCC4=CC(=O)OC5=C4C6=CC=CC=C6C=C5

InChI

InChI=1S/C30H21N3O3/c31-30-32-25(20-7-2-1-3-8-20)17-26(33-30)21-10-13-23(14-11-21)35-18-22-16-28(34)36-27-15-12-19-6-4-5-9-24(19)29(22)27/h1-17H,18H2,(H2,31,32,33)