1,3,7-trimethyl-8-(5-methylazocan-1-yl)purine-2,6-dione

Systemtic Name: 1,3,7-trimethyl-8-(5-methylazocan-1-yl)purine-2,6-dione Openeye Name: 1,3,7-trimethyl-8-(5-methylazocan-1-yl)purine-2,6-dione CAS Name: 1,3,7-trimethyl-8-(5-methyl-1-azocanyl)purine-2,6-dione IUPAC Name: 1,3,7-trimethyl-8-(5-methylazocan-1-yl)purine-2,6-dione Traditional Name: 1,3,7-trimethyl-8-(5-methylazocan-1-yl)xanthine Formula: C16H25N5O2 MolecularWeight: 319.402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(CCC1)C2=NC3=C(N2C)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC1CCCN(CCC1)C2=NC3=C(N2C)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C16H25N5O2/c1-11-7-5-9-21(10-6-8-11)15-17-13-12(18(15)2)14(22)20(4)16(23)19(13)3/h11H,5-10H2,1-4H3