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

Systemtic Name: 6-butyl-8-(2-propoxyphenyl)-3-propyl-1H-[1,2,4]triazolo[3,4-f]purin-5-one Openeye Name: 6-butyl-8-(2-propoxyphenyl)-3-propyl-1H-[1,2,4]triazolo[3,4-f]purin-5-one CAS Name: 6-butyl-8-(2-propoxyphenyl)-3-propyl-1H-[1,2,4]triazolo[3,4-f]purin-5-one IUPAC Name: 6-butyl-8-(2-propoxyphenyl)-3-propyl-1H-[1,2,4]triazolo[3,4-f]purin-5-one Traditional Name: 6-butyl-8-(2-propoxyphenyl)-3-propyl-1H-[1,2,4]triazolo[3,4-f]purin-5-one Formula: C22H28N6O2 MolecularWeight: 408.49672

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=NC(=NC2=C3NN=C(N3C1=O)CCC)C4=CC=CC=C4OCCC

Isomeric SMILES

CCCCN1C2=NC(=NC2=C3NN=C(N3C1=O)CCC)C4=CC=CC=C4OCCC

InChI

InChI=1S/C22H28N6O2/c1-4-7-13-27-20-18(21-26-25-17(10-5-2)28(21)22(27)29)23-19(24-20)15-11-8-9-12-16(15)30-14-6-3/h8-9,11-12,26H,4-7,10,13-14H2,1-3H3