6-azanyl-2-(2-methoxyethoxy)-9-[[3-[(pyridin-2-ylamino)methyl]phenyl]methyl]-7H-purin-8-one

Systemtic Name: 6-azanyl-2-(2-methoxyethoxy)-9-[[3-[(pyridin-2-ylamino)methyl]phenyl]methyl]-7H-purin-8-one Openeye Name: 6-amino-2-(2-methoxyethoxy)-9-[[3-[(2-pyridylamino)methyl]phenyl]methyl]-7H-purin-8-one CAS Name: 6-amino-2-(2-methoxyethoxy)-9-[[3-[(2-pyridinylamino)methyl]phenyl]methyl]-7H-purin-8-one IUPAC Name: 6-amino-2-(2-methoxyethoxy)-9-[[3-[(pyridin-2-ylamino)methyl]phenyl]methyl]-7H-purin-8-one Traditional Name: 6-amino-2-(2-methoxyethoxy)-9-[3-[(2-pyridylamino)methyl]benzyl]-7H-purin-8-one Formula: C21H23N7O3 MolecularWeight: 421.45242

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCOC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC(=CC=C3)CNC4=CC=CC=N4

Isomeric SMILES

COCCOC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC(=CC=C3)CNC4=CC=CC=N4

InChI

InChI=1S/C21H23N7O3/c1-30-9-10-31-20-26-18(22)17-19(27-20)28(21(29)25-17)13-15-6-4-5-14(11-15)12-24-16-7-2-3-8-23-16/h2-8,11H,9-10,12-13H2,1H3,(H,23,24)(H,25,29)(H2,22,26,27)