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

Systemtic Name: methyl 2-[2-[2-[[(1R)-3-methyl-1-phenyl-butyl]amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-pyrimidin-6-yl]ethanoate Openeye Name: methyl 2-[2-[2-[[(1R)-3-methyl-1-phenyl-butyl]amino]-2-oxo-ethyl]sulfanyl-4-oxo-1H-pyrimidin-6-yl]acetate CAS Name: 2-[2-[[2-[[(1R)-3-methyl-1-phenylbutyl]amino]-2-oxoethyl]thio]-4-oxo-1H-pyrimidin-6-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[2-[[(1R)-3-methyl-1-phenylbutyl]amino]-2-oxoethyl]sulfanyl-4-oxo-1H-pyrimidin-6-yl]acetate Traditional Name: 2-[4-keto-2-[[2-keto-2-[[(1R)-3-methyl-1-phenyl-butyl]amino]ethyl]thio]-1H-pyrimidin-6-yl]acetic acid methyl ester Formula: C20H25N3O4S MolecularWeight: 403.4952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)C[C@H](C1=CC=CC=C1)NC(=O)CSC2=NC(=O)C=C(N2)CC(=O)OC

InChI

InChI=1S/C20H25N3O4S/c1-13(2)9-16(14-7-5-4-6-8-14)22-18(25)12-28-20-21-15(10-17(24)23-20)11-19(26)27-3/h4-8,10,13,16H,9,11-12H2,1-3H3,(H,22,25)(H,21,23,24)/t16-/m1/s1