6-azanyl-2-(2-methoxyethoxy)-9-[[2-methoxy-5-(pyrrolidin-1-ylmethyl)phenyl]methyl]-7H-purin-8-one

Systemtic Name: 6-azanyl-2-(2-methoxyethoxy)-9-[[2-methoxy-5-(pyrrolidin-1-ylmethyl)phenyl]methyl]-7H-purin-8-one Openeye Name: 6-amino-2-(2-methoxyethoxy)-9-[[2-methoxy-5-(pyrrolidin-1-ylmethyl)phenyl]methyl]-7H-purin-8-one CAS Name: 6-amino-2-(2-methoxyethoxy)-9-[[2-methoxy-5-(1-pyrrolidinylmethyl)phenyl]methyl]-7H-purin-8-one IUPAC Name: 6-amino-2-(2-methoxyethoxy)-9-[[2-methoxy-5-(pyrrolidin-1-ylmethyl)phenyl]methyl]-7H-purin-8-one Traditional Name: 6-amino-2-(2-methoxyethoxy)-9-[2-methoxy-5-(pyrrolidinomethyl)benzyl]-7H-purin-8-one Formula: C21H28N6O4 MolecularWeight: 428.48482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCOC1=NC2=C(C(=N1)N)NC(=O)N2CC3=C(C=CC(=C3)CN4CCCC4)OC

Isomeric SMILES

COCCOC1=NC2=C(C(=N1)N)NC(=O)N2CC3=C(C=CC(=C3)CN4CCCC4)OC

InChI

InChI=1S/C21H28N6O4/c1-29-9-10-31-20-24-18(22)17-19(25-20)27(21(28)23-17)13-15-11-14(5-6-16(15)30-2)12-26-7-3-4-8-26/h5-6,11H,3-4,7-10,12-13H2,1-2H3,(H,23,28)(H2,22,24,25)