7-[(4-methoxyphenyl)methyl]-1,3-dimethyl-8-(2-piperidin-1-ylethylamino)purine-2,6-dione

Systemtic Name: 7-[(4-methoxyphenyl)methyl]-1,3-dimethyl-8-(2-piperidin-1-ylethylamino)purine-2,6-dione Openeye Name: 7-[(4-methoxyphenyl)methyl]-1,3-dimethyl-8-[2-(1-piperidyl)ethylamino]purine-2,6-dione CAS Name: 7-[(4-methoxyphenyl)methyl]-1,3-dimethyl-8-[2-(1-piperidinyl)ethylamino]purine-2,6-dione IUPAC Name: 7-[(4-methoxyphenyl)methyl]-1,3-dimethyl-8-(2-piperidin-1-ylethylamino)purine-2,6-dione Traditional Name: 1,3-dimethyl-7-p-anisyl-8-(2-piperidinoethylamino)xanthine Formula: C22H30N6O3 MolecularWeight: 426.512

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCN3CCCCC3)CC4=CC=C(C=C4)OC

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCN3CCCCC3)CC4=CC=C(C=C4)OC

InChI

InChI=1S/C22H30N6O3/c1-25-19-18(20(29)26(2)22(25)30)28(15-16-7-9-17(31-3)10-8-16)21(24-19)23-11-14-27-12-5-4-6-13-27/h7-10H,4-6,11-15H2,1-3H3,(H,23,24)