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

Systemtic Name: methyl 2-[2-[2-[[(1R)-1-naphthalen-1-ylethyl]amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-pyrimidin-6-yl]ethanoate Openeye Name: methyl 2-[2-[2-[[(1R)-1-(1-naphthyl)ethyl]amino]-2-oxo-ethyl]sulfanyl-4-oxo-1H-pyrimidin-6-yl]acetate CAS Name: 2-[2-[[2-[[(1R)-1-(1-naphthalenyl)ethyl]amino]-2-oxoethyl]thio]-4-oxo-1H-pyrimidin-6-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[2-[[(1R)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl]sulfanyl-4-oxo-1H-pyrimidin-6-yl]acetate Traditional Name: 2-[4-keto-2-[[2-keto-2-[[(1R)-1-(1-naphthyl)ethyl]amino]ethyl]thio]-1H-pyrimidin-6-yl]acetic acid methyl ester Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC2=CC=CC=C21)NC(=O)CSC3=NC(=O)C=C(N3)CC(=O)OC

Isomeric SMILES

C[C@H](C1=CC=CC2=CC=CC=C21)NC(=O)CSC3=NC(=O)C=C(N3)CC(=O)OC

InChI

InChI=1S/C21H21N3O4S/c1-13(16-9-5-7-14-6-3-4-8-17(14)16)22-19(26)12-29-21-23-15(10-18(25)24-21)11-20(27)28-2/h3-10,13H,11-12H2,1-2H3,(H,22,26)(H,23,24,25)/t13-/m1/s1