2-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethyl]sulfanyl-6-propyl-pyrimidin-4-olate

Systemtic Name: 2-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethyl]sulfanyl-6-propyl-pyrimidin-4-olate Openeye Name: 2-[2-(4-benzylpiperazin-1-yl)-2-oxo-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate CAS Name: 2-[[2-oxo-2-[4-(phenylmethyl)-1-piperazinyl]ethyl]thio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]sulfanyl-6-propylpyrimidin-4-olate Traditional Name: 2-[[2-(4-benzylpiperazino)-2-keto-ethyl]thio]-6-propyl-pyrimidin-4-olate Formula: C20H25N4O2S- MolecularWeight: 385.5031

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=N1)SCC(=O)N2CCN(CC2)CC3=CC=CC=C3)[O-]

Isomeric SMILES

CCCC1=CC(=NC(=N1)SCC(=O)N2CCN(CC2)CC3=CC=CC=C3)[O-]

InChI

InChI=1S/C20H26N4O2S/c1-2-6-17-13-18(25)22-20(21-17)27-15-19(26)24-11-9-23(10-12-24)14-16-7-4-3-5-8-16/h3-5,7-8,13H,2,6,9-12,14-15H2,1H3,(H,21,22,25)/p-1