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

Systemtic Name: 8-(phenylmethoxymethyl)-6-propyl-3-pyridin-3-yl-1H-[1,2,4]triazolo[3,4-f]purin-5-one Openeye Name: 8-(benzyloxymethyl)-6-propyl-3-(3-pyridyl)-1H-[1,2,4]triazolo[3,4-f]purin-5-one CAS Name: 8-(phenylmethoxymethyl)-6-propyl-3-(3-pyridinyl)-1H-[1,2,4]triazolo[3,4-f]purin-5-one IUPAC Name: 8-(phenylmethoxymethyl)-6-propyl-3-pyridin-3-yl-1H-[1,2,4]triazolo[3,4-f]purin-5-one Traditional Name: 8-(benzoxymethyl)-6-propyl-3-(3-pyridyl)-1H-[1,2,4]triazolo[3,4-f]purin-5-one Formula: C22H21N7O2 MolecularWeight: 415.44784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N7O2/c1-2-11-28-20-18(24-17(25-20)14-31-13-15-7-4-3-5-8-15)21-27-26-19(29(21)22(28)30)16-9-6-10-23-12-16/h3-10,12,27H,2,11,13-14H2,1H3