2-[5-azanyl-6-(methylamino)pyrimidin-4-yl]sulfanyl-5,5-dimethyl-3-oxidanyl-cyclohex-2-en-1-one

Systemtic Name: 2-[5-azanyl-6-(methylamino)pyrimidin-4-yl]sulfanyl-5,5-dimethyl-3-oxidanyl-cyclohex-2-en-1-one Openeye Name: 2-[5-amino-6-(methylamino)pyrimidin-4-yl]sulfanyl-3-hydroxy-5,5-dimethyl-cyclohex-2-en-1-one CAS Name: 2-[[5-amino-6-(methylamino)-4-pyrimidinyl]thio]-3-hydroxy-5,5-dimethyl-1-cyclohex-2-enone IUPAC Name: 2-[5-amino-6-(methylamino)pyrimidin-4-yl]sulfanyl-3-hydroxy-5,5-dimethylcyclohex-2-en-1-one Traditional Name: 2-[[5-amino-6-(methylamino)pyrimidin-4-yl]thio]-3-hydroxy-5,5-dimethyl-cyclohex-2-en-1-one Formula: C13H18N4O2S MolecularWeight: 294.37262

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=C(C(=O)C1)SC2=NC=NC(=C2N)NC)O)C

Isomeric SMILES

CC1(CC(=C(C(=O)C1)SC2=NC=NC(=C2N)NC)O)C

InChI

InChI=1S/C13H18N4O2S/c1-13(2)4-7(18)10(8(19)5-13)20-12-9(14)11(15-3)16-6-17-12/h6,18H,4-5,14H2,1-3H3,(H,15,16,17)