6-azanyl-2-[2-(4-ethanoylpiperazin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-1H-pyrimidin-4-one

Systemtic Name: 6-azanyl-2-[2-(4-ethanoylpiperazin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-1H-pyrimidin-4-one Openeye Name: 2-[2-(4-acetylpiperazin-1-yl)-2-oxo-ethyl]sulfanyl-6-amino-1H-pyrimidin-4-one CAS Name: 2-[[2-(4-acetyl-1-piperazinyl)-2-oxoethyl]thio]-6-amino-1H-pyrimidin-4-one IUPAC Name: 2-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]sulfanyl-6-amino-1H-pyrimidin-4-one Traditional Name: 2-[[2-(4-acetylpiperazino)-2-keto-ethyl]thio]-6-amino-1H-pyrimidin-4-one Formula: C12H17N5O3S MolecularWeight: 311.36008

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(=O)CSC2=NC(=O)C=C(N2)N

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=O)CSC2=NC(=O)C=C(N2)N

InChI

InChI=1S/C12H17N5O3S/c1-8(18)16-2-4-17(5-3-16)11(20)7-21-12-14-9(13)6-10(19)15-12/h6H,2-5,7H2,1H3,(H3,13,14,15,19)