2-[2-[(4-aminocarbonylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate

Systemtic Name: 2-[2-[(4-aminocarbonylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate Openeye Name: 2-[2-(4-carbamoylanilino)-2-oxo-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate CAS Name: 2-[[2-(4-carbamoylanilino)-2-oxoethyl]thio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[2-(4-carbamoylanilino)-2-oxoethyl]sulfanyl-6-propylpyrimidin-4-olate Traditional Name: 2-[[2-(4-carbamoylanilino)-2-keto-ethyl]thio]-6-propyl-pyrimidin-4-olate Formula: C16H17N4O3S- MolecularWeight: 345.39618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N4O3S/c1-2-3-12-8-13(21)20-16(19-12)24-9-14(22)18-11-6-4-10(5-7-11)15(17)23/h4-8H,2-3,9H2,1H3,(H2,17,23)(H,18,22)(H,19,20,21)/p-1