8-(cyclohexylamino)-1,3-dimethyl-7-(pyridin-4-ylmethyl)purine-2,6-dione

Systemtic Name: 8-(cyclohexylamino)-1,3-dimethyl-7-(pyridin-4-ylmethyl)purine-2,6-dione Openeye Name: 8-(cyclohexylamino)-1,3-dimethyl-7-(4-pyridylmethyl)purine-2,6-dione CAS Name: 8-(cyclohexylamino)-1,3-dimethyl-7-(pyridin-4-ylmethyl)purine-2,6-dione IUPAC Name: 8-(cyclohexylamino)-1,3-dimethyl-7-(pyridin-4-ylmethyl)purine-2,6-dione Traditional Name: 8-(cyclohexylamino)-1,3-dimethyl-7-(4-pyridylmethyl)xanthine Formula: C19H24N6O2 MolecularWeight: 368.43286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NC3CCCCC3)CC4=CC=NC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NC3CCCCC3)CC4=CC=NC=C4

InChI

InChI=1S/C19H24N6O2/c1-23-16-15(17(26)24(2)19(23)27)25(12-13-8-10-20-11-9-13)18(22-16)21-14-6-4-3-5-7-14/h8-11,14H,3-7,12H2,1-2H3,(H,21,22)