2-[(6-azanyl-7H-purin-8-yl)sulfanyl]-5,5-dimethyl-3-oxidanyl-cyclohex-2-en-1-one

Systemtic Name: 2-[(6-azanyl-7H-purin-8-yl)sulfanyl]-5,5-dimethyl-3-oxidanyl-cyclohex-2-en-1-one Openeye Name: 2-[(6-amino-7H-purin-8-yl)sulfanyl]-3-hydroxy-5,5-dimethyl-cyclohex-2-en-1-one CAS Name: 2-[(6-amino-7H-purin-8-yl)thio]-3-hydroxy-5,5-dimethyl-1-cyclohex-2-enone IUPAC Name: 2-[(6-amino-7H-purin-8-yl)sulfanyl]-3-hydroxy-5,5-dimethylcyclohex-2-en-1-one Traditional Name: 2-[(6-amino-7H-purin-8-yl)thio]-3-hydroxy-5,5-dimethyl-cyclohex-2-en-1-one Formula: C13H15N5O2S MolecularWeight: 305.3555

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1(CC(=C(C(=O)C1)SC2=NC3=C(N2)C(=NC=N3)N)O)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/h5,19H,3-4H2,1-2H3,(H3,14,15,16,17,18)