7-[4-[(2S)-2-(4-methoxyphenyl)azepan-1-yl]-4-oxidanylidene-butyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[4-[(2S)-2-(4-methoxyphenyl)azepan-1-yl]-4-oxidanylidene-butyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[4-[(2S)-2-(4-methoxyphenyl)azepan-1-yl]-4-oxo-butyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[4-[(2S)-2-(4-methoxyphenyl)-1-azepanyl]-4-oxobutyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[4-[(2S)-2-(4-methoxyphenyl)azepan-1-yl]-4-oxobutyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[4-keto-4-[(2S)-2-(4-methoxyphenyl)azepan-1-yl]butyl]-1,3-dimethyl-xanthine Formula: C24H31N5O4 MolecularWeight: 453.53404

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCC(=O)N3CCCCCC3C4=CC=C(C=C4)OC

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCC(=O)N3CCCCC[C@H]3C4=CC=C(C=C4)OC

InChI

InChI=1S/C24H31N5O4/c1-26-22-21(23(31)27(2)24(26)32)28(16-25-22)14-7-9-20(30)29-15-6-4-5-8-19(29)17-10-12-18(33-3)13-11-17/h10-13,16,19H,4-9,14-15H2,1-3H3/t19-/m0/s1