2-[2-[[4-[ethyl(propan-2-yl)amino]phenyl]amino]-2-oxidanylidene-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate

Systemtic Name: 2-[2-[[4-[ethyl(propan-2-yl)amino]phenyl]amino]-2-oxidanylidene-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate Openeye Name: 2-[2-[4-[ethyl(isopropyl)amino]anilino]-2-oxo-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate CAS Name: 2-[[2-[4-[ethyl(propan-2-yl)amino]anilino]-2-oxoethyl]thio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[2-[4-[ethyl(propan-2-yl)amino]anilino]-2-oxoethyl]sulfanyl-6-propylpyrimidin-4-olate Traditional Name: 2-[[2-[4-[ethyl(isopropyl)amino]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)C(C)C)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C20H28N4O2S/c1-5-7-16-12-18(25)23-20(22-16)27-13-19(26)21-15-8-10-17(11-9-15)24(6-2)14(3)4/h8-12,14H,5-7,13H2,1-4H3,(H,21,26)(H,22,23,25)/p-1