2-azanyl-9-[5-[(4-butylphenoxy)methyl]-4-oxidanyl-oxolan-2-yl]-3H-purin-6-one

Systemtic Name: 2-azanyl-9-[5-[(4-butylphenoxy)methyl]-4-oxidanyl-oxolan-2-yl]-3H-purin-6-one Openeye Name: 2-amino-9-[5-[(4-butylphenoxy)methyl]-4-hydroxy-tetrahydrofuran-2-yl]-3H-purin-6-one CAS Name: 2-amino-9-[5-[(4-butylphenoxy)methyl]-4-hydroxy-2-oxolanyl]-3H-purin-6-one IUPAC Name: 2-amino-9-[5-[(4-butylphenoxy)methyl]-4-hydroxyoxolan-2-yl]-3H-purin-6-one Traditional Name: 2-amino-9-[5-[(4-butylphenoxy)methyl]-4-hydroxy-tetrahydrofuran-2-yl]-3H-purin-6-one Formula: C20H25N5O4 MolecularWeight: 399.4436

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)OCC2C(CC(O2)N3C=NC4=C3NC(=NC4=O)N)O

Isomeric SMILES

CCCCC1=CC=C(C=C1)OCC2C(CC(O2)N3C=NC4=C3NC(=NC4=O)N)O

InChI

InChI=1S/C20H25N5O4/c1-2-3-4-12-5-7-13(8-6-12)28-10-15-14(26)9-16(29-15)25-11-22-17-18(25)23-20(21)24-19(17)27/h5-8,11,14-16,26H,2-4,9-10H2,1H3,(H3,21,23,24,27)