[2-cyclopentyl-5-oxidanylidene-1-(phenylmethyl)-4-propyl-7,8-dihydroimidazo[2,1-f]purin-8-yl]methyl methanesulfonate

Systemtic Name: [2-cyclopentyl-5-oxidanylidene-1-(phenylmethyl)-4-propyl-7,8-dihydroimidazo[2,1-f]purin-8-yl]methyl methanesulfonate Openeye Name: (1-benzyl-2-cyclopentyl-5-oxo-4-propyl-7,8-dihydroimidazo[2,1-f]purin-8-yl)methyl methanesulfonate CAS Name: methanesulfonic acid [2-cyclopentyl-5-oxo-1-(phenylmethyl)-4-propyl-7,8-dihydroimidazo[2,1-f]purin-8-yl]methyl ester IUPAC Name: (1-benzyl-2-cyclopentyl-5-oxo-4-propyl-7,8-dihydroimidazo[2,1-f]purin-8-yl)methyl methanesulfonate Traditional Name: methanesulfonic acid (1-benzyl-2-cyclopentyl-5-keto-4-propyl-7,8-dihydroimidazo[2,1-f]purin-8-yl)methyl ester Formula: C24H31N5O4S MolecularWeight: 485.59904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C3=NC(CN3C1=O)COS(=O)(=O)C)N(C(=N2)C4CCCC4)CC5=CC=CC=C5

Isomeric SMILES

CCCN1C2=C(C3=NC(CN3C1=O)COS(=O)(=O)C)N(C(=N2)C4CCCC4)CC5=CC=CC=C5

InChI

InChI=1S/C24H31N5O4S/c1-3-13-27-23-20(22-25-19(15-29(22)24(27)30)16-33-34(2,31)32)28(14-17-9-5-4-6-10-17)21(26-23)18-11-7-8-12-18/h4-6,9-10,18-19H,3,7-8,11-16H2,1-2H3