7-decyl-3-methyl-8-piperidin-1-yl-purine-2,6-dione

Systemtic Name: 7-decyl-3-methyl-8-piperidin-1-yl-purine-2,6-dione Openeye Name: 7-decyl-3-methyl-8-(1-piperidyl)purine-2,6-dione CAS Name: 7-decyl-3-methyl-8-(1-piperidinyl)purine-2,6-dione IUPAC Name: 7-decyl-3-methyl-8-piperidin-1-ylpurine-2,6-dione Traditional Name: 7-decyl-3-methyl-8-piperidino-xanthine Formula: C21H35N5O2 MolecularWeight: 389.5349

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCN1C2=C(N=C1N3CCCCC3)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCCCCN1C2=C(N=C1N3CCCCC3)N(C(=O)NC2=O)C

InChI

InChI=1S/C21H35N5O2/c1-3-4-5-6-7-8-9-13-16-26-17-18(24(2)21(28)23-19(17)27)22-20(26)25-14-11-10-12-15-25/h3-16H2,1-2H3,(H,23,27,28)