5-butyl-2-[2-(diethylamino)-2-oxidanylidene-ethyl]sulfanyl-3-(3,4-dimethylphenyl)-6-oxidanylidene-pyrimidin-4-olate

Systemtic Name: 5-butyl-2-[2-(diethylamino)-2-oxidanylidene-ethyl]sulfanyl-3-(3,4-dimethylphenyl)-6-oxidanylidene-pyrimidin-4-olate Openeye Name: 5-butyl-2-[2-(diethylamino)-2-oxo-ethyl]sulfanyl-3-(3,4-dimethylphenyl)-6-oxo-pyrimidin-4-olate CAS Name: 5-butyl-2-[[2-(diethylamino)-2-oxoethyl]thio]-3-(3,4-dimethylphenyl)-6-oxo-4-pyrimidinolate IUPAC Name: 5-butyl-2-[2-(diethylamino)-2-oxoethyl]sulfanyl-3-(3,4-dimethylphenyl)-6-oxopyrimidin-4-olate Traditional Name: 5-butyl-2-[[2-(diethylamino)-2-keto-ethyl]thio]-3-(3,4-dimethylphenyl)-6-keto-pyrimidin-4-olate Formula: C22H30N3O3S- MolecularWeight: 416.5569

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N(C(=NC1=O)SCC(=O)N(CC)CC)C2=CC(=C(C=C2)C)C)[O-]

Isomeric SMILES

CCCCC1=C(N(C(=NC1=O)SCC(=O)N(CC)CC)C2=CC(=C(C=C2)C)C)[O-]

InChI

InChI=1S/C22H31N3O3S/c1-6-9-10-18-20(27)23-22(29-14-19(26)24(7-2)8-3)25(21(18)28)17-12-11-15(4)16(5)13-17/h11-13,28H,6-10,14H2,1-5H3/p-1