5,5-dimethyl-2-[(7H-purin-6-ylamino)methylidene]cyclohexane-1,3-dione

Systemtic Name: 5,5-dimethyl-2-[(7H-purin-6-ylamino)methylidene]cyclohexane-1,3-dione Openeye Name: 5,5-dimethyl-2-[(7H-purin-6-ylamino)methylene]cyclohexane-1,3-dione CAS Name: 5,5-dimethyl-2-[(7H-purin-6-ylamino)methylidene]cyclohexane-1,3-dione IUPAC Name: 5,5-dimethyl-2-[(7H-purin-6-ylamino)methylidene]cyclohexane-1,3-dione Traditional Name: 5,5-dimethyl-2-[(7H-purin-6-ylamino)methylene]cyclohexane-1,3-quinone Formula: C14H15N5O2 MolecularWeight: 285.3012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C(=CNC2=NC=NC3=C2NC=N3)C(=O)C1)C

Isomeric SMILES

CC1(CC(=O)C(=CNC2=NC=NC3=C2NC=N3)C(=O)C1)C

InChI

InChI=1S/C14H15N5O2/c1-14(2)3-9(20)8(10(21)4-14)5-15-12-11-13(17-6-16-11)19-7-18-12/h5-7H,3-4H2,1-2H3,(H2,15,16,17,18,19)