7-[2-[[2-(azepan-1-yl)phenyl]amino]ethyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[2-[[2-(azepan-1-yl)phenyl]amino]ethyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[2-[2-(azepan-1-yl)anilino]ethyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[2-[2-(1-azepanyl)anilino]ethyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[2-[2-(azepan-1-yl)anilino]ethyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[2-[2-(azepan-1-yl)anilino]ethyl]-1,3-dimethyl-xanthine Formula: C21H28N6O2 MolecularWeight: 396.48602

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCNC3=CC=CC=C3N4CCCCCC4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCNC3=CC=CC=C3N4CCCCCC4

InChI

InChI=1S/C21H28N6O2/c1-24-19-18(20(28)25(2)21(24)29)27(15-23-19)14-11-22-16-9-5-6-10-17(16)26-12-7-3-4-8-13-26/h5-6,9-10,15,22H,3-4,7-8,11-14H2,1-2H3