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

Systemtic Name: 1,3,7-trimethyl-8-(3,3,5-trimethylazepan-1-yl)purine-2,6-dione Openeye Name: 1,3,7-trimethyl-8-(3,3,5-trimethylazepan-1-yl)purine-2,6-dione CAS Name: 1,3,7-trimethyl-8-(3,3,5-trimethyl-1-azepanyl)purine-2,6-dione IUPAC Name: 1,3,7-trimethyl-8-(3,3,5-trimethylazepan-1-yl)purine-2,6-dione Traditional Name: 1,3,7-trimethyl-8-(3,3,5-trimethylazepan-1-yl)xanthine Formula: C17H27N5O2 MolecularWeight: 333.42858

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC(C1)(C)C)C2=NC3=C(N2C)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC1CCN(CC(C1)(C)C)C2=NC3=C(N2C)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C17H27N5O2/c1-11-7-8-22(10-17(2,3)9-11)15-18-13-12(19(15)4)14(23)21(6)16(24)20(13)5/h11H,7-10H2,1-6H3