6-azanyl-2-(2-methoxyethoxy)-9-[[4-[(4-methoxypiperidin-1-yl)methyl]phenyl]methyl]-7H-purin-8-one

Systemtic Name: 6-azanyl-2-(2-methoxyethoxy)-9-[[4-[(4-methoxypiperidin-1-yl)methyl]phenyl]methyl]-7H-purin-8-one Openeye Name: 6-amino-2-(2-methoxyethoxy)-9-[[4-[(4-methoxy-1-piperidyl)methyl]phenyl]methyl]-7H-purin-8-one CAS Name: 6-amino-2-(2-methoxyethoxy)-9-[[4-[(4-methoxy-1-piperidinyl)methyl]phenyl]methyl]-7H-purin-8-one IUPAC Name: 6-amino-2-(2-methoxyethoxy)-9-[[4-[(4-methoxypiperidin-1-yl)methyl]phenyl]methyl]-7H-purin-8-one Traditional Name: 6-amino-2-(2-methoxyethoxy)-9-[4-[(4-methoxypiperidino)methyl]benzyl]-7H-purin-8-one Formula: C22H30N6O4 MolecularWeight: 442.5114

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC=C(C=C3)CN4CCC(CC4)OC

Isomeric SMILES

COCCOC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC=C(C=C3)CN4CCC(CC4)OC

InChI

InChI=1S/C22H30N6O4/c1-30-11-12-32-21-25-19(23)18-20(26-21)28(22(29)24-18)14-16-5-3-15(4-6-16)13-27-9-7-17(31-2)8-10-27/h3-6,17H,7-14H2,1-2H3,(H,24,29)(H2,23,25,26)