8-[2-(5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl)hydrazinyl]-1,3,7-trimethyl-purine-2,6-dione

Systemtic Name: 8-[2-(5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl)hydrazinyl]-1,3,7-trimethyl-purine-2,6-dione Openeye Name: 8-[2-(5,5-dimethyl-3-oxo-cyclohexen-1-yl)hydrazino]-1,3,7-trimethyl-purine-2,6-dione CAS Name: 8-[(5,5-dimethyl-3-oxo-1-cyclohexenyl)hydrazo]-1,3,7-trimethylpurine-2,6-dione IUPAC Name: 8-[2-(5,5-dimethyl-3-oxocyclohexen-1-yl)hydrazinyl]-1,3,7-trimethylpurine-2,6-dione Traditional Name: 8-[N'-(3-keto-5,5-dimethyl-cyclohexen-1-yl)hydrazino]-1,3,7-trimethyl-xanthine Formula: C16H22N6O3 MolecularWeight: 346.38428

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=CC(=O)C1)NNC2=NC3=C(N2C)C(=O)N(C(=O)N3C)C)C

Isomeric SMILES

CC1(CC(=CC(=O)C1)NNC2=NC3=C(N2C)C(=O)N(C(=O)N3C)C)C

InChI

InChI=1S/C16H22N6O3/c1-16(2)7-9(6-10(23)8-16)18-19-14-17-12-11(20(14)3)13(24)22(5)15(25)21(12)4/h6,18H,7-8H2,1-5H3,(H,17,19)