2-methyl-7-phenyl-1-(3,4,5-trimethoxyphenyl)purin-6-one

Systemtic Name: 2-methyl-7-phenyl-1-(3,4,5-trimethoxyphenyl)purin-6-one Openeye Name: 2-methyl-7-phenyl-1-(3,4,5-trimethoxyphenyl)purin-6-one CAS Name: 2-methyl-7-phenyl-1-(3,4,5-trimethoxyphenyl)-6-purinone IUPAC Name: 2-methyl-7-phenyl-1-(3,4,5-trimethoxyphenyl)purin-6-one Traditional Name: 2-methyl-7-phenyl-1-(3,4,5-trimethoxyphenyl)purin-6-one Formula: C21H20N4O4 MolecularWeight: 392.4079

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=O)N1C3=CC(=C(C(=C3)OC)OC)OC)N(C=N2)C4=CC=CC=C4

Isomeric SMILES

CC1=NC2=C(C(=O)N1C3=CC(=C(C(=C3)OC)OC)OC)N(C=N2)C4=CC=CC=C4

InChI

InChI=1S/C21H20N4O4/c1-13-23-20-18(24(12-22-20)14-8-6-5-7-9-14)21(26)25(13)15-10-16(27-2)19(29-4)17(11-15)28-3/h5-12H,1-4H3