3-methyl-7-(1-phenylethyl)-8-piperazin-1-yl-purine-2,6-dione

Systemtic Name: 3-methyl-7-(1-phenylethyl)-8-piperazin-1-yl-purine-2,6-dione Openeye Name: 3-methyl-7-(1-phenylethyl)-8-piperazin-1-yl-purine-2,6-dione CAS Name: 3-methyl-7-(1-phenylethyl)-8-(1-piperazinyl)purine-2,6-dione IUPAC Name: 3-methyl-7-(1-phenylethyl)-8-piperazin-1-ylpurine-2,6-dione Traditional Name: 3-methyl-7-(1-phenylethyl)-8-piperazino-xanthine Formula: C18H22N6O2 MolecularWeight: 354.40628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N2C3=C(N=C2N4CCNCC4)N(C(=O)NC3=O)C

Isomeric SMILES

CC(C1=CC=CC=C1)N2C3=C(N=C2N4CCNCC4)N(C(=O)NC3=O)C

InChI

InChI=1S/C18H22N6O2/c1-12(13-6-4-3-5-7-13)24-14-15(22(2)18(26)21-16(14)25)20-17(24)23-10-8-19-9-11-23/h3-7,12,19H,8-11H2,1-2H3,(H,21,25,26)