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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC(=CC=C3)CN4CCCC4

Isomeric SMILES

CC(C)COC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC(=CC=C3)CN4CCCC4

InChI

InChI=1S/C21H28N6O2/c1-14(2)13-29-20-24-18(22)17-19(25-20)27(21(28)23-17)12-16-7-5-6-15(10-16)11-26-8-3-4-9-26/h5-7,10,14H,3-4,8-9,11-13H2,1-2H3,(H,23,28)(H2,22,24,25)