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

Systemtic Name: 6-butyl-8-(phenylmethoxymethyl)-3-pyridin-4-yl-1H-[1,2,4]triazolo[3,4-f]purin-5-one Openeye Name: 8-(benzyloxymethyl)-6-butyl-3-(4-pyridyl)-1H-[1,2,4]triazolo[3,4-f]purin-5-one CAS Name: 6-butyl-8-(phenylmethoxymethyl)-3-pyridin-4-yl-1H-[1,2,4]triazolo[3,4-f]purin-5-one IUPAC Name: 6-butyl-8-(phenylmethoxymethyl)-3-pyridin-4-yl-1H-[1,2,4]triazolo[3,4-f]purin-5-one Traditional Name: 8-(benzoxymethyl)-6-butyl-3-(4-pyridyl)-1H-[1,2,4]triazolo[3,4-f]purin-5-one Formula: C23H23N7O2 MolecularWeight: 429.47442

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=NC(=NC2=C3NN=C(N3C1=O)C4=CC=NC=C4)COCC5=CC=CC=C5

Isomeric SMILES

CCCCN1C2=NC(=NC2=C3NN=C(N3C1=O)C4=CC=NC=C4)COCC5=CC=CC=C5

InChI

InChI=1S/C23H23N7O2/c1-2-3-13-29-21-19(25-18(26-21)15-32-14-16-7-5-4-6-8-16)22-28-27-20(30(22)23(29)31)17-9-11-24-12-10-17/h4-12,28H,2-3,13-15H2,1H3