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

Systemtic Name: methyl 2-[2-[2-[2-(3-methylphenoxy)ethylamino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-pyrimidin-6-yl]ethanoate Openeye Name: methyl 2-[2-[2-[2-(3-methylphenoxy)ethylamino]-2-oxo-ethyl]sulfanyl-4-oxo-1H-pyrimidin-6-yl]acetate CAS Name: 2-[2-[[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl]thio]-4-oxo-1H-pyrimidin-6-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl]sulfanyl-4-oxo-1H-pyrimidin-6-yl]acetate Traditional Name: 2-[4-keto-2-[[2-keto-2-[2-(3-methylphenoxy)ethylamino]ethyl]thio]-1H-pyrimidin-6-yl]acetic acid methyl ester Formula: C18H21N3O5S MolecularWeight: 391.44144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCNC(=O)CSC2=NC(=O)C=C(N2)CC(=O)OC

Isomeric SMILES

CC1=CC(=CC=C1)OCCNC(=O)CSC2=NC(=O)C=C(N2)CC(=O)OC

InChI

InChI=1S/C18H21N3O5S/c1-12-4-3-5-14(8-12)26-7-6-19-16(23)11-27-18-20-13(9-15(22)21-18)10-17(24)25-2/h3-5,8-9H,6-7,10-11H2,1-2H3,(H,19,23)(H,20,21,22)