2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethanone

Systemtic Name: 2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethanone Openeye Name: 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-1-[4-(2-naphthylsulfonyl)piperazin-1-yl]ethanone CAS Name: 2-[(4,6-diamino-2-pyrimidinyl)thio]-1-[4-(2-naphthalenylsulfonyl)-1-piperazinyl]ethanone IUPAC Name: 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethanone Traditional Name: 2-[(4,6-diaminopyrimidin-2-yl)thio]-1-[4-(2-naphthylsulfonyl)piperazino]ethanone Formula: C20H22N6O3S2 MolecularWeight: 458.55708

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N6O3S2/c21-17-12-18(22)24-20(23-17)30-13-19(27)25-7-9-26(10-8-25)31(28,29)16-6-5-14-3-1-2-4-15(14)11-16/h1-6,11-12H,7-10,13H2,(H4,21,22,23,24)