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

Systemtic Name: 6-azanyl-2-(2-methoxyethoxy)-9-[[3-(piperidin-1-ylmethyl)phenyl]methyl]-7H-purin-8-one Openeye Name: 6-amino-2-(2-methoxyethoxy)-9-[[3-(1-piperidylmethyl)phenyl]methyl]-7H-purin-8-one CAS Name: 6-amino-2-(2-methoxyethoxy)-9-[[3-(1-piperidinylmethyl)phenyl]methyl]-7H-purin-8-one IUPAC Name: 6-amino-2-(2-methoxyethoxy)-9-[[3-(piperidin-1-ylmethyl)phenyl]methyl]-7H-purin-8-one Traditional Name: 6-amino-2-(2-methoxyethoxy)-9-[3-(piperidinomethyl)benzyl]-7H-purin-8-one Formula: C21H28N6O3 MolecularWeight: 412.48542

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC(=CC=C3)CN4CCCCC4

Isomeric SMILES

COCCOC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC(=CC=C3)CN4CCCCC4

InChI

InChI=1S/C21H28N6O3/c1-29-10-11-30-20-24-18(22)17-19(25-20)27(21(28)23-17)14-16-7-5-6-15(12-16)13-26-8-3-2-4-9-26/h5-7,12H,2-4,8-11,13-14H2,1H3,(H,23,28)(H2,22,24,25)