9-methyl-N-[(1-phenethylsulfonylpiperidin-4-yl)methyl]purin-6-amine

Systemtic Name: 9-methyl-N-[(1-phenethylsulfonylpiperidin-4-yl)methyl]purin-6-amine Openeye Name: 9-methyl-N-[(1-phenethylsulfonyl-4-piperidyl)methyl]purin-6-amine CAS Name: 9-methyl-N-[(1-phenethylsulfonyl-4-piperidinyl)methyl]-6-purinamine IUPAC Name: 9-methyl-N-[(1-phenethylsulfonylpiperidin-4-yl)methyl]purin-6-amine Traditional Name: (9-methylpurin-6-yl)-[(1-phenethylsulfonyl-4-piperidyl)methyl]amine Formula: C20H26N6O2S MolecularWeight: 414.52444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1N=CN=C2NCC3CCN(CC3)S(=O)(=O)CCC4=CC=CC=C4

Isomeric SMILES

CN1C=NC2=C1N=CN=C2NCC3CCN(CC3)S(=O)(=O)CCC4=CC=CC=C4

InChI

InChI=1S/C20H26N6O2S/c1-25-15-24-18-19(22-14-23-20(18)25)21-13-17-7-10-26(11-8-17)29(27,28)12-9-16-5-3-2-4-6-16/h2-6,14-15,17H,7-13H2,1H3,(H,21,22,23)