2-[4-(2-azanylethyl)piperazin-1-yl]-6-(propan-2-ylsulfanylmethyl)-1H-pyrimidin-4-one

Systemtic Name: 2-[4-(2-azanylethyl)piperazin-1-yl]-6-(propan-2-ylsulfanylmethyl)-1H-pyrimidin-4-one Openeye Name: 2-[4-(2-aminoethyl)piperazin-1-yl]-6-(isopropylsulfanylmethyl)-1H-pyrimidin-4-one CAS Name: 2-[4-(2-aminoethyl)-1-piperazinyl]-6-[(propan-2-ylthio)methyl]-1H-pyrimidin-4-one IUPAC Name: 2-[4-(2-aminoethyl)piperazin-1-yl]-6-(propan-2-ylsulfanylmethyl)-1H-pyrimidin-4-one Traditional Name: 2-[4-(2-aminoethyl)piperazino]-6-[(isopropylthio)methyl]-1H-pyrimidin-4-one Formula: C14H25N5OS MolecularWeight: 311.4462

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SCC1=CC(=O)N=C(N1)N2CCN(CC2)CCN

Isomeric SMILES

CC(C)SCC1=CC(=O)N=C(N1)N2CCN(CC2)CCN

InChI

InChI=1S/C14H25N5OS/c1-11(2)21-10-12-9-13(20)17-14(16-12)19-7-5-18(4-3-15)6-8-19/h9,11H,3-8,10,15H2,1-2H3,(H,16,17,20)