7-cyclopentyl-4-ethyl-5-oxidanylidene-6-(phenylmethyl)-[1,2,4]triazolo[5,1-b]purine-2-carbaldehyde

Systemtic Name: 7-cyclopentyl-4-ethyl-5-oxidanylidene-6-(phenylmethyl)-[1,2,4]triazolo[5,1-b]purine-2-carbaldehyde Openeye Name: 6-benzyl-7-cyclopentyl-4-ethyl-5-oxo-[1,2,4]triazolo[5,1-b]purine-2-carbaldehyde CAS Name: 7-cyclopentyl-4-ethyl-5-oxo-6-(phenylmethyl)-[1,2,4]triazolo[5,1-b]purine-2-carboxaldehyde IUPAC Name: 6-benzyl-7-cyclopentyl-4-ethyl-5-oxo-[1,2,4]triazolo[5,1-b]purine-2-carbaldehyde Traditional Name: 6-benzyl-7-cyclopentyl-4-ethyl-5-keto-[1,2,4]triazolo[5,1-b]purine-2-carbaldehyde Formula: C21H22N6O2 MolecularWeight: 390.43838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(N=C(N2CC3=CC=CC=C3)C4CCCC4)N5C1=NC(=N5)C=O

Isomeric SMILES

CCN1C(=O)C2=C(N=C(N2CC3=CC=CC=C3)C4CCCC4)N5C1=NC(=N5)C=O

InChI

InChI=1S/C21H22N6O2/c1-2-25-20(29)17-19(27-21(25)22-16(13-28)24-27)23-18(15-10-6-7-11-15)26(17)12-14-8-4-3-5-9-14/h3-5,8-9,13,15H,2,6-7,10-12H2,1H3