3-methyl-1-(2-piperidin-1-ylethyl)-7-propan-2-yl-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione

Systemtic Name: 3-methyl-1-(2-piperidin-1-ylethyl)-7-propan-2-yl-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione Openeye Name: 7-isopropyl-3-methyl-1-[2-(1-piperidyl)ethyl]-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione CAS Name: 3-methyl-1-[2-(1-piperidinyl)ethyl]-7-propan-2-yl-8-(3,4,5-trimethyl-1-pyrazolyl)purine-2,6-dione IUPAC Name: 3-methyl-1-(2-piperidin-1-ylethyl)-7-propan-2-yl-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione Traditional Name: 7-isopropyl-3-methyl-1-(2-piperidinoethyl)-8-(3,4,5-trimethylpyrazol-1-yl)xanthine Formula: C22H33N7O2 MolecularWeight: 427.54312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(N=C1C)C2=NC3=C(N2C(C)C)C(=O)N(C(=O)N3C)CCN4CCCCC4)C

Isomeric SMILES

CC1=C(N(N=C1C)C2=NC3=C(N2C(C)C)C(=O)N(C(=O)N3C)CCN4CCCCC4)C

InChI

InChI=1S/C22H33N7O2/c1-14(2)28-18-19(23-21(28)29-17(5)15(3)16(4)24-29)25(6)22(31)27(20(18)30)13-12-26-10-8-7-9-11-26/h14H,7-13H2,1-6H3