6-[2-(cyclopropylamino)-2-oxidanylidene-ethyl]-2-[2-oxidanylidene-2-(phenethylamino)ethyl]sulfanyl-pyrimidin-4-olate

Systemtic Name: 6-[2-(cyclopropylamino)-2-oxidanylidene-ethyl]-2-[2-oxidanylidene-2-(phenethylamino)ethyl]sulfanyl-pyrimidin-4-olate Openeye Name: 6-[2-(cyclopropylamino)-2-oxo-ethyl]-2-[2-oxo-2-(phenethylamino)ethyl]sulfanyl-pyrimidin-4-olate CAS Name: 6-[2-(cyclopropylamino)-2-oxoethyl]-2-[[2-oxo-2-(phenethylamino)ethyl]thio]-4-pyrimidinolate IUPAC Name: 6-[2-(cyclopropylamino)-2-oxoethyl]-2-[2-oxo-2-(phenethylamino)ethyl]sulfanylpyrimidin-4-olate Traditional Name: 6-[2-(cyclopropylamino)-2-keto-ethyl]-2-[[2-keto-2-(phenethylamino)ethyl]thio]pyrimidin-4-olate Formula: C19H21N4O3S- MolecularWeight: 385.46004

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)CC2=CC(=NC(=N2)SCC(=O)NCCC3=CC=CC=C3)[O-]

Isomeric SMILES

C1CC1NC(=O)CC2=CC(=NC(=N2)SCC(=O)NCCC3=CC=CC=C3)[O-]

InChI

InChI=1S/C19H22N4O3S/c24-16(21-14-6-7-14)10-15-11-17(25)23-19(22-15)27-12-18(26)20-9-8-13-4-2-1-3-5-13/h1-5,11,14H,6-10,12H2,(H,20,26)(H,21,24)(H,22,23,25)/p-1