2-[(6-azanyl-7H-purin-8-yl)sulfanyl]-5,5-dimethyl-cyclohexane-1,3-dione

Systemtic Name: 2-[(6-azanyl-7H-purin-8-yl)sulfanyl]-5,5-dimethyl-cyclohexane-1,3-dione Openeye Name: 2-[(6-amino-7H-purin-8-yl)sulfanyl]-5,5-dimethyl-cyclohexane-1,3-dione CAS Name: 2-[(6-amino-7H-purin-8-yl)thio]-5,5-dimethylcyclohexane-1,3-dione IUPAC Name: 2-[(6-amino-7H-purin-8-yl)sulfanyl]-5,5-dimethylcyclohexane-1,3-dione Traditional Name: 2-[(6-amino-7H-purin-8-yl)thio]-5,5-dimethyl-cyclohexane-1,3-quinone Formula: C13H15N5O2S MolecularWeight: 305.3555

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C(C(=O)C1)SC2=NC3=C(N2)C(=NC=N3)N)C

Isomeric SMILES

CC1(CC(=O)C(C(=O)C1)SC2=NC3=C(N2)C(=NC=N3)N)C

InChI

InChI=1S/C13H15N5O2S/c1-13(2)3-6(19)9(7(20)4-13)21-12-17-8-10(14)15-5-16-11(8)18-12/h5,9H,3-4H2,1-2H3,(H3,14,15,16,17,18)