2-[2-[[4-(diethylamino)-3-methyl-phenyl]amino]-2-oxidanylidene-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate

Systemtic Name: 2-[2-[[4-(diethylamino)-3-methyl-phenyl]amino]-2-oxidanylidene-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate Openeye Name: 2-[2-[4-(diethylamino)-3-methyl-anilino]-2-oxo-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate CAS Name: 2-[[2-[4-(diethylamino)-3-methylanilino]-2-oxoethyl]thio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[2-[4-(diethylamino)-3-methylanilino]-2-oxoethyl]sulfanyl-6-propylpyrimidin-4-olate Traditional Name: 2-[[2-[4-(diethylamino)-3-methyl-anilino]-2-keto-ethyl]thio]-6-propyl-pyrimidin-4-olate Formula: C20H27N4O2S- MolecularWeight: 387.51898

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N4O2S/c1-5-8-15-12-18(25)23-20(22-15)27-13-19(26)21-16-9-10-17(14(4)11-16)24(6-2)7-3/h9-12H,5-8,13H2,1-4H3,(H,21,26)(H,22,23,25)/p-1