methyl 2-[2-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-pyrimidin-6-yl]ethanoate

Systemtic Name: methyl 2-[2-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-pyrimidin-6-yl]ethanoate Openeye Name: methyl 2-[2-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxo-ethyl]sulfanyl-4-oxo-1H-pyrimidin-6-yl]acetate CAS Name: 2-[2-[[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]thio]-4-oxo-1H-pyrimidin-6-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]sulfanyl-4-oxo-1H-pyrimidin-6-yl]acetate Traditional Name: 2-[4-keto-2-[[2-keto-2-(veratrylamino)ethyl]thio]-1H-pyrimidin-6-yl]acetic acid methyl ester Formula: C18H21N3O6S MolecularWeight: 407.44084

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)CSC2=NC(=O)C=C(N2)CC(=O)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)CSC2=NC(=O)C=C(N2)CC(=O)OC)OC

InChI

InChI=1S/C18H21N3O6S/c1-25-13-5-4-11(6-14(13)26-2)9-19-16(23)10-28-18-20-12(7-15(22)21-18)8-17(24)27-3/h4-7H,8-10H2,1-3H3,(H,19,23)(H,20,21,22)