6-[bis(2-methoxyethyl)amino]-2,7-dimethyl-9-(2,4,6-trimethylphenyl)purin-8-one

Systemtic Name: 6-[bis(2-methoxyethyl)amino]-2,7-dimethyl-9-(2,4,6-trimethylphenyl)purin-8-one Openeye Name: 6-[bis(2-methoxyethyl)amino]-2,7-dimethyl-9-(2,4,6-trimethylphenyl)purin-8-one CAS Name: 6-[bis(2-methoxyethyl)amino]-2,7-dimethyl-9-(2,4,6-trimethylphenyl)-8-purinone IUPAC Name: 6-[bis(2-methoxyethyl)amino]-2,7-dimethyl-9-(2,4,6-trimethylphenyl)purin-8-one Traditional Name: 6-[bis(2-methoxyethyl)amino]-9-mesityl-2,7-dimethyl-purin-8-one Formula: C22H31N5O3 MolecularWeight: 413.51324

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)N2C3=C(C(=NC(=N3)C)N(CCOC)CCOC)N(C2=O)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)N2C3=C(C(=NC(=N3)C)N(CCOC)CCOC)N(C2=O)C)C

InChI

InChI=1S/C22H31N5O3/c1-14-12-15(2)18(16(3)13-14)27-21-19(25(5)22(27)28)20(23-17(4)24-21)26(8-10-29-6)9-11-30-7/h12-13H,8-11H2,1-7H3