[6-azanyl-2-butoxy-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]purin-8-yl] propan-2-yl carbonate

Systemtic Name: [6-azanyl-2-butoxy-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]purin-8-yl] propan-2-yl carbonate Openeye Name: [6-amino-2-butoxy-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]purin-8-yl] isopropyl carbonate CAS Name: carbonic acid [6-amino-2-butoxy-9-[[3-(1-pyrrolidinylmethyl)phenyl]methyl]-8-purinyl] propan-2-yl ester IUPAC Name: [6-amino-2-butoxy-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]purin-8-yl] propan-2-yl carbonate Traditional Name: carbonic acid [6-amino-2-butoxy-9-[3-(pyrrolidinomethyl)benzyl]purin-8-yl] isopropyl ester Formula: C25H34N6O4 MolecularWeight: 482.57526

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)N)N=C(N2CC3=CC(=CC=C3)CN4CCCC4)OC(=O)OC(C)C

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)N)N=C(N2CC3=CC(=CC=C3)CN4CCCC4)OC(=O)OC(C)C

InChI

InChI=1S/C25H34N6O4/c1-4-5-13-33-23-28-21(26)20-22(29-23)31(24(27-20)35-25(32)34-17(2)3)16-19-10-8-9-18(14-19)15-30-11-6-7-12-30/h8-10,14,17H,4-7,11-13,15-16H2,1-3H3,(H2,26,28,29)