6-azanyl-2-butoxy-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-7H-purin-8-one

Systemtic Name: 6-azanyl-2-butoxy-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-7H-purin-8-one Openeye Name: 6-amino-2-butoxy-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-7H-purin-8-one CAS Name: 6-amino-2-butoxy-9-[[3-(1-pyrrolidinylmethyl)phenyl]methyl]-7H-purin-8-one IUPAC Name: 6-amino-2-butoxy-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-7H-purin-8-one Traditional Name: 6-amino-2-butoxy-9-[3-(pyrrolidinomethyl)benzyl]-7H-purin-8-one Formula: C21H28N6O2 MolecularWeight: 396.48602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC(=CC=C3)CN4CCCC4

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC(=CC=C3)CN4CCCC4

InChI

InChI=1S/C21H28N6O2/c1-2-3-11-29-20-24-18(22)17-19(25-20)27(21(28)23-17)14-16-8-6-7-15(12-16)13-26-9-4-5-10-26/h6-8,12H,2-5,9-11,13-14H2,1H3,(H,23,28)(H2,22,24,25)