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

Systemtic Name: 2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-1-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethanone Openeye Name: 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone CAS Name: 2-[(4,6-diamino-2-pyrimidinyl)thio]-1-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]ethanone IUPAC Name: 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone Traditional Name: 2-[(4,6-diaminopyrimidin-2-yl)thio]-1-[4-(2-thenoyl)piperazino]ethanone Formula: C15H18N6O2S2 MolecularWeight: 378.47242

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CSC2=NC(=CC(=N2)N)N)C(=O)C3=CC=CS3

Isomeric SMILES

C1CN(CCN1C(=O)CSC2=NC(=CC(=N2)N)N)C(=O)C3=CC=CS3

InChI

InChI=1S/C15H18N6O2S2/c16-11-8-12(17)19-15(18-11)25-9-13(22)20-3-5-21(6-4-20)14(23)10-2-1-7-24-10/h1-2,7-8H,3-6,9H2,(H4,16,17,18,19)