6-azanyl-2-butoxy-9-[[3-[(pyridin-2-ylamino)methyl]phenyl]methyl]-7H-purin-8-one

Systemtic Name: 6-azanyl-2-butoxy-9-[[3-[(pyridin-2-ylamino)methyl]phenyl]methyl]-7H-purin-8-one Openeye Name: 6-amino-2-butoxy-9-[[3-[(2-pyridylamino)methyl]phenyl]methyl]-7H-purin-8-one CAS Name: 6-amino-2-butoxy-9-[[3-[(2-pyridinylamino)methyl]phenyl]methyl]-7H-purin-8-one IUPAC Name: 6-amino-2-butoxy-9-[[3-[(pyridin-2-ylamino)methyl]phenyl]methyl]-7H-purin-8-one Traditional Name: 6-amino-2-butoxy-9-[3-[(2-pyridylamino)methyl]benzyl]-7H-purin-8-one Formula: C22H25N7O2 MolecularWeight: 419.4796

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC(=CC=C3)CNC4=CC=CC=N4

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC(=CC=C3)CNC4=CC=CC=N4

InChI

InChI=1S/C22H25N7O2/c1-2-3-11-31-21-27-19(23)18-20(28-21)29(22(30)26-18)14-16-8-6-7-15(12-16)13-25-17-9-4-5-10-24-17/h4-10,12H,2-3,11,13-14H2,1H3,(H,24,25)(H,26,30)(H2,23,27,28)