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

Systemtic Name: methyl 2-[2-[2-[4-(3-methylbutanoylamino)phenyl]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-pyrimidin-6-yl]ethanoate Openeye Name: methyl 2-[2-[2-[4-(3-methylbutanoylamino)phenyl]-2-oxo-ethyl]sulfanyl-4-oxo-1H-pyrimidin-6-yl]acetate CAS Name: 2-[2-[[2-[4-[(3-methyl-1-oxobutyl)amino]phenyl]-2-oxoethyl]thio]-4-oxo-1H-pyrimidin-6-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[2-[4-(3-methylbutanoylamino)phenyl]-2-oxoethyl]sulfanyl-4-oxo-1H-pyrimidin-6-yl]acetate Traditional Name: 2-[2-[[2-[4-(isovalerylamino)phenyl]-2-keto-ethyl]thio]-4-keto-1H-pyrimidin-6-yl]acetic acid methyl ester Formula: C20H23N3O5S MolecularWeight: 417.47872

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=C(C=C1)C(=O)CSC2=NC(=O)C=C(N2)CC(=O)OC

Isomeric SMILES

CC(C)CC(=O)NC1=CC=C(C=C1)C(=O)CSC2=NC(=O)C=C(N2)CC(=O)OC

InChI

InChI=1S/C20H23N3O5S/c1-12(2)8-17(25)21-14-6-4-13(5-7-14)16(24)11-29-20-22-15(9-18(26)23-20)10-19(27)28-3/h4-7,9,12H,8,10-11H2,1-3H3,(H,21,25)(H,22,23,26)