7-[3-[(3,3-dimethyl-5-oxidanylidene-cyclohexen-1-yl)amino]propyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[3-[(3,3-dimethyl-5-oxidanylidene-cyclohexen-1-yl)amino]propyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[3-[(3,3-dimethyl-5-oxo-cyclohexen-1-yl)amino]propyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[3-[(3,3-dimethyl-5-oxo-1-cyclohexenyl)amino]propyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[3-[(3,3-dimethyl-5-oxocyclohexen-1-yl)amino]propyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[3-[(5-keto-3,3-dimethyl-cyclohexen-1-yl)amino]propyl]-1,3-dimethyl-xanthine Formula: C18H25N5O3 MolecularWeight: 359.4228

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)CC(=C1)NCCCN2C=NC3=C2C(=O)N(C(=O)N3C)C)C

Isomeric SMILES

CC1(CC(=O)CC(=C1)NCCCN2C=NC3=C2C(=O)N(C(=O)N3C)C)C

InChI

InChI=1S/C18H25N5O3/c1-18(2)9-12(8-13(24)10-18)19-6-5-7-23-11-20-15-14(23)16(25)22(4)17(26)21(15)3/h9,11,19H,5-8,10H2,1-4H3