2-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate

Systemtic Name: 2-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate Openeye Name: 2-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxo-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate CAS Name: 2-[[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]thio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]sulfanyl-6-propylpyrimidin-4-olate Traditional Name: 2-[[2-keto-2-(veratrylamino)ethyl]thio]-6-propyl-pyrimidin-4-olate Formula: C18H22N3O4S- MolecularWeight: 376.44998

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=N1)SCC(=O)NCC2=CC(=C(C=C2)OC)OC)[O-]

Isomeric SMILES

CCCC1=CC(=NC(=N1)SCC(=O)NCC2=CC(=C(C=C2)OC)OC)[O-]

InChI

InChI=1S/C18H23N3O4S/c1-4-5-13-9-16(22)21-18(20-13)26-11-17(23)19-10-12-6-7-14(24-2)15(8-12)25-3/h6-9H,4-5,10-11H2,1-3H3,(H,19,23)(H,20,21,22)/p-1