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

Systemtic Name: 7-(2-hydroxyphenyl)-1,3-dimethyl-8-piperazin-1-yl-purine-2,6-dione Openeye Name: 7-(2-hydroxyphenyl)-1,3-dimethyl-8-piperazin-1-yl-purine-2,6-dione CAS Name: 7-(2-hydroxyphenyl)-1,3-dimethyl-8-(1-piperazinyl)purine-2,6-dione IUPAC Name: 7-(2-hydroxyphenyl)-1,3-dimethyl-8-piperazin-1-ylpurine-2,6-dione Traditional Name: 7-(2-hydroxyphenyl)-1,3-dimethyl-8-piperazino-xanthine Formula: C17H20N6O3 MolecularWeight: 356.3791

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=C4O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCNCC3)C4=CC=CC=C4O

InChI

InChI=1S/C17H20N6O3/c1-20-14-13(15(25)21(2)17(20)26)23(11-5-3-4-6-12(11)24)16(19-14)22-9-7-18-8-10-22/h3-6,18,24H,7-10H2,1-2H3