7-cyclopentyl-4-ethyl-5-oxidanylidene-8-(phenylmethyl)-[1,2,4]triazolo[5,1-b]purine-2-carbaldehyde

Systemtic Name: 7-cyclopentyl-4-ethyl-5-oxidanylidene-8-(phenylmethyl)-[1,2,4]triazolo[5,1-b]purine-2-carbaldehyde Openeye Name: 8-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-8-(phenylmethyl)-[1,2,4]triazolo[5,1-b]purine-2-carboxaldehyde IUPAC Name: 8-benzyl-7-cyclopentyl-4-ethyl-5-oxo-[1,2,4]triazolo[5,1-b]purine-2-carbaldehyde Traditional Name: 8-benzyl-7-cyclopentyl-4-ethyl-5-keto-[1,2,4]triazolo[5,1-b]purine-2-carbaldehyde Formula: C21H22N6O2 MolecularWeight: 390.43838

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(N(C(=N2)C3CCCC3)CC4=CC=CC=C4)N5C1=NC(=N5)C=O

Isomeric SMILES

CCN1C(=O)C2=C(N(C(=N2)C3CCCC3)CC4=CC=CC=C4)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)26(12-14-8-4-3-5-9-14)18(23-17)15-10-6-7-11-15/h3-5,8-9,13,15H,2,6-7,10-12H2,1H3