2-[2-oxidanylidene-2-[(4-piperidin-1-ylphenyl)amino]ethyl]sulfanyl-6-propyl-pyrimidin-4-olate

Systemtic Name: 2-[2-oxidanylidene-2-[(4-piperidin-1-ylphenyl)amino]ethyl]sulfanyl-6-propyl-pyrimidin-4-olate Openeye Name: 2-[2-oxo-2-[4-(1-piperidyl)anilino]ethyl]sulfanyl-6-propyl-pyrimidin-4-olate CAS Name: 2-[[2-oxo-2-[4-(1-piperidinyl)anilino]ethyl]thio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[2-oxo-2-(4-piperidin-1-ylanilino)ethyl]sulfanyl-6-propylpyrimidin-4-olate Traditional Name: 2-[[2-keto-2-(4-piperidinoanilino)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)NC2=CC=C(C=C2)N3CCCCC3)[O-]

Isomeric SMILES

CCCC1=CC(=NC(=N1)SCC(=O)NC2=CC=C(C=C2)N3CCCCC3)[O-]

InChI

InChI=1S/C20H26N4O2S/c1-2-6-16-13-18(25)23-20(22-16)27-14-19(26)21-15-7-9-17(10-8-15)24-11-4-3-5-12-24/h7-10,13H,2-6,11-12,14H2,1H3,(H,21,26)(H,22,23,25)/p-1