5,5-dimethyl-2-[[(6-oxidanylidene-3,7-dihydropurin-2-yl)amino]methylidene]cyclohexane-1,3-dione

Systemtic Name: 5,5-dimethyl-2-[[(6-oxidanylidene-3,7-dihydropurin-2-yl)amino]methylidene]cyclohexane-1,3-dione Openeye Name: 5,5-dimethyl-2-[[(6-oxo-3,7-dihydropurin-2-yl)amino]methylene]cyclohexane-1,3-dione CAS Name: 5,5-dimethyl-2-[[(6-oxo-3,7-dihydropurin-2-yl)amino]methylidene]cyclohexane-1,3-dione IUPAC Name: 5,5-dimethyl-2-[[(6-oxo-3,7-dihydropurin-2-yl)amino]methylidene]cyclohexane-1,3-dione Traditional Name: 2-[[(6-keto-3,7-dihydropurin-2-yl)amino]methylene]-5,5-dimethyl-cyclohexane-1,3-quinone Formula: C14H15N5O3 MolecularWeight: 301.3006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C(=CNC2=NC(=O)C3=C(N2)N=CN3)C(=O)C1)C

Isomeric SMILES

CC1(CC(=O)C(=CNC2=NC(=O)C3=C(N2)N=CN3)C(=O)C1)C

InChI

InChI=1S/C14H15N5O3/c1-14(2)3-8(20)7(9(21)4-14)5-15-13-18-11-10(12(22)19-13)16-6-17-11/h5-6H,3-4H2,1-2H3,(H3,15,16,17,18,19,22)