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

Systemtic Name: methyl 2-[4-oxidanylidene-2-[2-oxidanylidene-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl]sulfanyl-1H-pyrimidin-6-yl]ethanoate Openeye Name: methyl 2-[2-[2-[[(1R)-1-methyl-3-phenyl-propyl]amino]-2-oxo-ethyl]sulfanyl-4-oxo-1H-pyrimidin-6-yl]acetate CAS Name: 2-[4-oxo-2-[[2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl]thio]-1H-pyrimidin-6-yl]acetic acid methyl ester IUPAC Name: methyl 2-[4-oxo-2-[2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl]sulfanyl-1H-pyrimidin-6-yl]acetate Traditional Name: 2-[4-keto-2-[[2-keto-2-[[(1R)-1-methyl-3-phenyl-propyl]amino]ethyl]thio]-1H-pyrimidin-6-yl]acetic acid methyl ester Formula: C19H23N3O4S MolecularWeight: 389.46862

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)NC(=O)CSC2=NC(=O)C=C(N2)CC(=O)OC

Isomeric SMILES

C[C@H](CCC1=CC=CC=C1)NC(=O)CSC2=NC(=O)C=C(N2)CC(=O)OC

InChI

InChI=1S/C19H23N3O4S/c1-13(8-9-14-6-4-3-5-7-14)20-17(24)12-27-19-21-15(10-16(23)22-19)11-18(25)26-2/h3-7,10,13H,8-9,11-12H2,1-2H3,(H,20,24)(H,21,22,23)/t13-/m1/s1