2-azanyl-8-(4-butylphenyl)-9-[5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-3H-purin-6-one

Systemtic Name: 2-azanyl-8-(4-butylphenyl)-9-[5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-3H-purin-6-one Openeye Name: 2-amino-8-(4-butylphenyl)-9-[4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3H-purin-6-one CAS Name: 2-amino-8-(4-butylphenyl)-9-[4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-3H-purin-6-one IUPAC Name: 2-amino-8-(4-butylphenyl)-9-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-one Traditional Name: 2-amino-8-(4-butylphenyl)-9-(4-hydroxy-5-methylol-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)C2=NC3=C(N2C4CC(C(O4)CO)O)NC(=NC3=O)N

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2=NC3=C(N2C4CC(C(O4)CO)O)NC(=NC3=O)N

InChI

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