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

Systemtic Name: 2-[4-(4-aminophenyl)piperazin-1-yl]-6-(propan-2-ylsulfanylmethyl)-1H-pyrimidin-4-one Openeye Name: 2-[4-(4-aminophenyl)piperazin-1-yl]-6-(isopropylsulfanylmethyl)-1H-pyrimidin-4-one CAS Name: 2-[4-(4-aminophenyl)-1-piperazinyl]-6-[(propan-2-ylthio)methyl]-1H-pyrimidin-4-one IUPAC Name: 2-[4-(4-aminophenyl)piperazin-1-yl]-6-(propan-2-ylsulfanylmethyl)-1H-pyrimidin-4-one Traditional Name: 2-[4-(4-aminophenyl)piperazino]-6-[(isopropylthio)methyl]-1H-pyrimidin-4-one Formula: C18H25N5OS MolecularWeight: 359.489

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SCC1=CC(=O)N=C(N1)N2CCN(CC2)C3=CC=C(C=C3)N

Isomeric SMILES

CC(C)SCC1=CC(=O)N=C(N1)N2CCN(CC2)C3=CC=C(C=C3)N

InChI

InChI=1S/C18H25N5OS/c1-13(2)25-12-15-11-17(24)21-18(20-15)23-9-7-22(8-10-23)16-5-3-14(19)4-6-16/h3-6,11,13H,7-10,12,19H2,1-2H3,(H,20,21,24)