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

Systemtic Name: methyl 2-[4-oxidanylidene-2-[2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl]sulfanyl-1H-pyrimidin-6-yl]ethanoate Openeye Name: methyl 2-[4-oxo-2-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]sulfanyl-1H-pyrimidin-6-yl]acetate CAS Name: 2-[4-oxo-2-[[2-oxo-2-(1H-pyrrol-2-yl)ethyl]thio]-1H-pyrimidin-6-yl]acetic acid methyl ester IUPAC Name: methyl 2-[4-oxo-2-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]sulfanyl-1H-pyrimidin-6-yl]acetate Traditional Name: 2-[4-keto-2-[[2-keto-2-(1H-pyrrol-2-yl)ethyl]thio]-1H-pyrimidin-6-yl]acetic acid methyl ester Formula: C13H13N3O4S MolecularWeight: 307.32502

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CC(=O)N=C(N1)SCC(=O)C2=CC=CN2

Isomeric SMILES

COC(=O)CC1=CC(=O)N=C(N1)SCC(=O)C2=CC=CN2

InChI

InChI=1S/C13H13N3O4S/c1-20-12(19)6-8-5-11(18)16-13(15-8)21-7-10(17)9-3-2-4-14-9/h2-5,14H,6-7H2,1H3,(H,15,16,18)