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

Systemtic Name: 7-[2-(4-methoxyphenyl)ethyl]-3-methyl-8-piperidin-1-yl-purine-2,6-dione Openeye Name: 7-[2-(4-methoxyphenyl)ethyl]-3-methyl-8-(1-piperidyl)purine-2,6-dione CAS Name: 7-[2-(4-methoxyphenyl)ethyl]-3-methyl-8-(1-piperidinyl)purine-2,6-dione IUPAC Name: 7-[2-(4-methoxyphenyl)ethyl]-3-methyl-8-piperidin-1-ylpurine-2,6-dione Traditional Name: 7-[2-(4-methoxyphenyl)ethyl]-3-methyl-8-piperidino-xanthine Formula: C20H25N5O3 MolecularWeight: 383.4442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCCC3)CCC4=CC=C(C=C4)OC

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCCC3)CCC4=CC=C(C=C4)OC

InChI

InChI=1S/C20H25N5O3/c1-23-17-16(18(26)22-20(23)27)25(19(21-17)24-11-4-3-5-12-24)13-10-14-6-8-15(28-2)9-7-14/h6-9H,3-5,10-13H2,1-2H3,(H,22,26,27)