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

Systemtic Name: 3-phenyl-8-(phenylmethoxymethyl)-6-propyl-1H-[1,2,4]triazolo[3,4-f]purin-5-one Openeye Name: 8-(benzyloxymethyl)-3-phenyl-6-propyl-1H-[1,2,4]triazolo[3,4-f]purin-5-one CAS Name: 3-phenyl-8-(phenylmethoxymethyl)-6-propyl-1H-[1,2,4]triazolo[3,4-f]purin-5-one IUPAC Name: 3-phenyl-8-(phenylmethoxymethyl)-6-propyl-1H-[1,2,4]triazolo[3,4-f]purin-5-one Traditional Name: 8-(benzoxymethyl)-3-phenyl-6-propyl-1H-[1,2,4]triazolo[3,4-f]purin-5-one Formula: C23H22N6O2 MolecularWeight: 414.45978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22N6O2/c1-2-13-28-21-19(24-18(25-21)15-31-14-16-9-5-3-6-10-16)22-27-26-20(29(22)23(28)30)17-11-7-4-8-12-17/h3-12,27H,2,13-15H2,1H3