6-azanyl-2-(4-oxidanylbutoxy)-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-7H-purin-8-one

Systemtic Name: 6-azanyl-2-(4-oxidanylbutoxy)-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-7H-purin-8-one Openeye Name: 6-amino-2-(4-hydroxybutoxy)-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-7H-purin-8-one CAS Name: 6-amino-2-(4-hydroxybutoxy)-9-[[3-(1-pyrrolidinylmethyl)phenyl]methyl]-7H-purin-8-one IUPAC Name: 6-amino-2-(4-hydroxybutoxy)-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-7H-purin-8-one Traditional Name: 6-amino-2-(4-hydroxybutoxy)-9-[3-(pyrrolidinomethyl)benzyl]-7H-purin-8-one Formula: C21H28N6O3 MolecularWeight: 412.48542

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2=CC=CC(=C2)CN3C4=C(C(=NC(=N4)OCCCCO)N)NC3=O

Isomeric SMILES

C1CCN(C1)CC2=CC=CC(=C2)CN3C4=C(C(=NC(=N4)OCCCCO)N)NC3=O

InChI

InChI=1S/C21H28N6O3/c22-18-17-19(25-20(24-18)30-11-4-3-10-28)27(21(29)23-17)14-16-7-5-6-15(12-16)13-26-8-1-2-9-26/h5-7,12,28H,1-4,8-11,13-14H2,(H,23,29)(H2,22,24,25)