2-[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxidanylidene-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate

Systemtic Name: 2-[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxidanylidene-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate Openeye Name: 2-[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxo-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate CAS Name: 2-[[2-[[(2,4-dimethylanilino)-oxomethyl]amino]-2-oxoethyl]thio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]sulfanyl-6-propylpyrimidin-4-olate Traditional Name: 2-[[2-[(2,4-dimethylphenyl)carbamoylamino]-2-keto-ethyl]thio]-6-propyl-pyrimidin-4-olate Formula: C18H21N4O3S- MolecularWeight: 373.44934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N4O3S/c1-4-5-13-9-15(23)22-18(19-13)26-10-16(24)21-17(25)20-14-7-6-11(2)8-12(14)3/h6-9H,4-5,10H2,1-3H3,(H,19,22,23)(H2,20,21,24,25)/p-1