9-ethyl-N2-(phenylmethyl)-8-(4-prop-2-enylpyrazol-1-yl)purine-2,6-diamine

Systemtic Name: 9-ethyl-N2-(phenylmethyl)-8-(4-prop-2-enylpyrazol-1-yl)purine-2,6-diamine Openeye Name: 8-(4-allylpyrazol-1-yl)-N2-benzyl-9-ethyl-purine-2,6-diamine CAS Name: 9-ethyl-N2-(phenylmethyl)-8-(4-prop-2-enyl-1-pyrazolyl)purine-2,6-diamine IUPAC Name: 2-N-benzyl-9-ethyl-8-(4-prop-2-enylpyrazol-1-yl)purine-2,6-diamine Traditional Name: [8-(4-allylpyrazol-1-yl)-6-amino-9-ethyl-purin-2-yl]-benzyl-amine Formula: C20H22N8 MolecularWeight: 374.44228

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=NC(=N2)NCC3=CC=CC=C3)N)N=C1N4C=C(C=N4)CC=C

Isomeric SMILES

CCN1C2=C(C(=NC(=N2)NCC3=CC=CC=C3)N)N=C1N4C=C(C=N4)CC=C

InChI

InChI=1S/C20H22N8/c1-3-8-15-12-23-28(13-15)20-24-16-17(21)25-19(26-18(16)27(20)4-2)22-11-14-9-6-5-7-10-14/h3,5-7,9-10,12-13H,1,4,8,11H2,2H3,(H3,21,22,25,26)