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

Systemtic Name: 2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone CAS Name: 2-[(4,6-diamino-2-pyrimidinyl)thio]-1-[4-(2-pyrimidinyl)-1-piperazinyl]ethanone IUPAC Name: 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-[(4,6-diaminopyrimidin-2-yl)thio]-1-[4-(2-pyrimidyl)piperazino]ethanone Formula: C14H18N8OS MolecularWeight: 346.41072

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)CSC3=NC(=CC(=N3)N)N

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)CSC3=NC(=CC(=N3)N)N

InChI

InChI=1S/C14H18N8OS/c15-10-8-11(16)20-14(19-10)24-9-12(23)21-4-6-22(7-5-21)13-17-2-1-3-18-13/h1-3,8H,4-7,9H2,(H4,15,16,19,20)