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

Systemtic Name: methyl 2-[4-oxidanylidene-2-[2-oxidanylidene-2-(pentylamino)ethyl]sulfanyl-1H-pyrimidin-6-yl]ethanoate Openeye Name: methyl 2-[4-oxo-2-[2-oxo-2-(pentylamino)ethyl]sulfanyl-1H-pyrimidin-6-yl]acetate CAS Name: 2-[4-oxo-2-[[2-oxo-2-(pentylamino)ethyl]thio]-1H-pyrimidin-6-yl]acetic acid methyl ester IUPAC Name: methyl 2-[4-oxo-2-[2-oxo-2-(pentylamino)ethyl]sulfanyl-1H-pyrimidin-6-yl]acetate Traditional Name: 2-[2-[[2-(amylamino)-2-keto-ethyl]thio]-4-keto-1H-pyrimidin-6-yl]acetic acid methyl ester Formula: C14H21N3O4S MolecularWeight: 327.39924

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)CSC1=NC(=O)C=C(N1)CC(=O)OC

Isomeric SMILES

CCCCCNC(=O)CSC1=NC(=O)C=C(N1)CC(=O)OC

InChI

InChI=1S/C14H21N3O4S/c1-3-4-5-6-15-12(19)9-22-14-16-10(7-11(18)17-14)8-13(20)21-2/h7H,3-6,8-9H2,1-2H3,(H,15,19)(H,16,17,18)