5,6-bis(azanyl)-2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-1H-pyrimidin-4-one

Systemtic Name: 5,6-bis(azanyl)-2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-1H-pyrimidin-4-one Openeye Name: 5,6-diamino-2-[2-(3,5-dimethyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-1H-pyrimidin-4-one CAS Name: 5,6-diamino-2-[[2-(3,5-dimethyl-1-piperidinyl)-2-oxoethyl]thio]-1H-pyrimidin-4-one IUPAC Name: 5,6-diamino-2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanyl-1H-pyrimidin-4-one Traditional Name: 5,6-diamino-2-[[2-(3,5-dimethylpiperidino)-2-keto-ethyl]thio]-1H-pyrimidin-4-one Formula: C13H21N5O2S MolecularWeight: 311.40314

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)CSC2=NC(=O)C(=C(N2)N)N)C

Isomeric SMILES

CC1CC(CN(C1)C(=O)CSC2=NC(=O)C(=C(N2)N)N)C

InChI

InChI=1S/C13H21N5O2S/c1-7-3-8(2)5-18(4-7)9(19)6-21-13-16-11(15)10(14)12(20)17-13/h7-8H,3-6,14H2,1-2H3,(H3,15,16,17,20)