3-[(3-cyclopentyloxy-4-methoxy-phenyl)methyl]-8-prop-1-en-2-yl-purin-6-amine

Systemtic Name: 3-[(3-cyclopentyloxy-4-methoxy-phenyl)methyl]-8-prop-1-en-2-yl-purin-6-amine Openeye Name: 3-[[3-(cyclopentoxy)-4-methoxy-phenyl]methyl]-8-isopropenyl-purin-6-amine CAS Name: 3-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-8-(1-methylethenyl)-6-purinamine IUPAC Name: 3-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-8-prop-1-en-2-ylpurin-6-amine Traditional Name: [3-[3-(cyclopentoxy)-4-methoxy-benzyl]-8-isopropenyl-purin-6-yl]amine Formula: C21H25N5O2 MolecularWeight: 379.4555

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C1=NC2=C(N=CN(C2=N1)CC3=CC(=C(C=C3)OC)OC4CCCC4)N

Isomeric SMILES

CC(=C)C1=NC2=C(N=CN(C2=N1)CC3=CC(=C(C=C3)OC)OC4CCCC4)N

InChI

InChI=1S/C21H25N5O2/c1-13(2)20-24-18-19(22)23-12-26(21(18)25-20)11-14-8-9-16(27-3)17(10-14)28-15-6-4-5-7-15/h8-10,12,15H,1,4-7,11,22H2,2-3H3