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

Systemtic Name: 6-azanyl-2-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-1H-pyrimidin-4-one Openeye Name: 6-amino-2-[2-[4-(2-naphthylsulfonyl)piperazin-1-yl]-2-oxo-ethyl]sulfanyl-1H-pyrimidin-4-one CAS Name: 6-amino-2-[[2-[4-(2-naphthalenylsulfonyl)-1-piperazinyl]-2-oxoethyl]thio]-1H-pyrimidin-4-one IUPAC Name: 6-amino-2-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxoethyl]sulfanyl-1H-pyrimidin-4-one Traditional Name: 6-amino-2-[[2-keto-2-[4-(2-naphthylsulfonyl)piperazino]ethyl]thio]-1H-pyrimidin-4-one Formula: C20H21N5O4S2 MolecularWeight: 459.54184

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CSC2=NC(=O)C=C(N2)N)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C1CN(CCN1C(=O)CSC2=NC(=O)C=C(N2)N)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C20H21N5O4S2/c21-17-12-18(26)23-20(22-17)30-13-19(27)24-7-9-25(10-8-24)31(28,29)16-6-5-14-3-1-2-4-15(14)11-16/h1-6,11-12H,7-10,13H2,(H3,21,22,23,26)