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

Systemtic Name: 2-[2-[(4-dimethylaminophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate Openeye Name: 2-[2-[4-(dimethylamino)anilino]-2-oxo-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate CAS Name: 2-[[2-[4-(dimethylamino)anilino]-2-oxoethyl]thio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[2-[4-(dimethylamino)anilino]-2-oxoethyl]sulfanyl-6-propylpyrimidin-4-olate Traditional Name: 2-[[2-[4-(dimethylamino)anilino]-2-keto-ethyl]thio]-6-propyl-pyrimidin-4-olate Formula: C17H21N4O2S- MolecularWeight: 345.43924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N4O2S/c1-4-5-13-10-15(22)20-17(19-13)24-11-16(23)18-12-6-8-14(9-7-12)21(2)3/h6-10H,4-5,11H2,1-3H3,(H,18,23)(H,19,20,22)/p-1