7-(2-methoxyphenyl)-1,3-dimethyl-8-piperazin-1-yl-purine-2,6-dione

Systemtic Name: 7-(2-methoxyphenyl)-1,3-dimethyl-8-piperazin-1-yl-purine-2,6-dione Openeye Name: 7-(2-methoxyphenyl)-1,3-dimethyl-8-piperazin-1-yl-purine-2,6-dione CAS Name: 7-(2-methoxyphenyl)-1,3-dimethyl-8-(1-piperazinyl)purine-2,6-dione IUPAC Name: 7-(2-methoxyphenyl)-1,3-dimethyl-8-piperazin-1-ylpurine-2,6-dione Traditional Name: 7-(2-methoxyphenyl)-1,3-dimethyl-8-piperazino-xanthine Formula: C18H22N6O3 MolecularWeight: 370.40568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCNCC3)C4=CC=CC=C4OC

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCNCC3)C4=CC=CC=C4OC

InChI

InChI=1S/C18H22N6O3/c1-21-15-14(16(25)22(2)18(21)26)24(12-6-4-5-7-13(12)27-3)17(20-15)23-10-8-19-9-11-23/h4-7,19H,8-11H2,1-3H3