8-(phenylmethoxymethyl)-6-propyl-3-thiophen-2-yl-1H-[1,2,4]triazolo[3,4-f]purin-5-one

Systemtic Name: 8-(phenylmethoxymethyl)-6-propyl-3-thiophen-2-yl-1H-[1,2,4]triazolo[3,4-f]purin-5-one Openeye Name: 8-(benzyloxymethyl)-6-propyl-3-(2-thienyl)-1H-[1,2,4]triazolo[3,4-f]purin-5-one CAS Name: 8-(phenylmethoxymethyl)-6-propyl-3-thiophen-2-yl-1H-[1,2,4]triazolo[3,4-f]purin-5-one IUPAC Name: 8-(phenylmethoxymethyl)-6-propyl-3-thiophen-2-yl-1H-[1,2,4]triazolo[3,4-f]purin-5-one Traditional Name: 8-(benzoxymethyl)-6-propyl-3-(2-thienyl)-1H-[1,2,4]triazolo[3,4-f]purin-5-one Formula: C21H20N6O2S MolecularWeight: 420.4875

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=NC(=NC2=C3NN=C(N3C1=O)C4=CC=CS4)COCC5=CC=CC=C5

Isomeric SMILES

CCCN1C2=NC(=NC2=C3NN=C(N3C1=O)C4=CC=CS4)COCC5=CC=CC=C5

InChI

InChI=1S/C21H20N6O2S/c1-2-10-26-19-17(22-16(23-19)13-29-12-14-7-4-3-5-8-14)20-25-24-18(27(20)21(26)28)15-9-6-11-30-15/h3-9,11,25H,2,10,12-13H2,1H3