1,3-dimethyl-7-naphthalen-1-yl-8-piperazin-1-yl-purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-naphthalen-1-yl-8-piperazin-1-yl-purine-2,6-dione Openeye Name: 1,3-dimethyl-7-(1-naphthyl)-8-piperazin-1-yl-purine-2,6-dione CAS Name: 1,3-dimethyl-7-(1-naphthalenyl)-8-(1-piperazinyl)purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-naphthalen-1-yl-8-piperazin-1-ylpurine-2,6-dione Traditional Name: 1,3-dimethyl-7-(1-naphthyl)-8-piperazino-xanthine Formula: C21H22N6O2 MolecularWeight: 390.43838

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=CC5=CC=CC=C54

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCNCC3)C4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C21H22N6O2/c1-24-18-17(19(28)25(2)21(24)29)27(20(23-18)26-12-10-22-11-13-26)16-9-5-7-14-6-3-4-8-15(14)16/h3-9,22H,10-13H2,1-2H3