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

Systemtic Name: methyl 2-[4-oxidanylidene-2-[2-oxidanylidene-2-(3-phenylpropylamino)ethyl]sulfanyl-1H-pyrimidin-6-yl]ethanoate Openeye Name: methyl 2-[4-oxo-2-[2-oxo-2-(3-phenylpropylamino)ethyl]sulfanyl-1H-pyrimidin-6-yl]acetate CAS Name: 2-[4-oxo-2-[[2-oxo-2-(3-phenylpropylamino)ethyl]thio]-1H-pyrimidin-6-yl]acetic acid methyl ester IUPAC Name: methyl 2-[4-oxo-2-[2-oxo-2-(3-phenylpropylamino)ethyl]sulfanyl-1H-pyrimidin-6-yl]acetate Traditional Name: 2-[4-keto-2-[[2-keto-2-(3-phenylpropylamino)ethyl]thio]-1H-pyrimidin-6-yl]acetic acid methyl ester Formula: C18H21N3O4S MolecularWeight: 375.44204

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CC(=O)N=C(N1)SCC(=O)NCCCC2=CC=CC=C2

Isomeric SMILES

COC(=O)CC1=CC(=O)N=C(N1)SCC(=O)NCCCC2=CC=CC=C2

InChI

InChI=1S/C18H21N3O4S/c1-25-17(24)11-14-10-15(22)21-18(20-14)26-12-16(23)19-9-5-8-13-6-3-2-4-7-13/h2-4,6-7,10H,5,8-9,11-12H2,1H3,(H,19,23)(H,20,21,22)