methyl 2-[2-[(2R)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-4-oxidanylidene-1H-pyrimidin-6-yl]ethanoate

Systemtic Name: methyl 2-[2-[(2R)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-4-oxidanylidene-1H-pyrimidin-6-yl]ethanoate Openeye Name: methyl 2-[2-[(1R)-2-(azepan-1-yl)-1-methyl-2-oxo-ethyl]sulfanyl-4-oxo-1H-pyrimidin-6-yl]acetate CAS Name: 2-[2-[[(2R)-1-(1-azepanyl)-1-oxopropan-2-yl]thio]-4-oxo-1H-pyrimidin-6-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[(2R)-1-(azepan-1-yl)-1-oxopropan-2-yl]sulfanyl-4-oxo-1H-pyrimidin-6-yl]acetate Traditional Name: 2-[2-[[(1R)-2-(azepan-1-yl)-2-keto-1-methyl-ethyl]thio]-4-keto-1H-pyrimidin-6-yl]acetic acid methyl ester Formula: C16H23N3O4S MolecularWeight: 353.43652

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)SC2=NC(=O)C=C(N2)CC(=O)OC

Isomeric SMILES

C[C@H](C(=O)N1CCCCCC1)SC2=NC(=O)C=C(N2)CC(=O)OC

InChI

InChI=1S/C16H23N3O4S/c1-11(15(22)19-7-5-3-4-6-8-19)24-16-17-12(9-13(20)18-16)10-14(21)23-2/h9,11H,3-8,10H2,1-2H3,(H,17,18,20)/t11-/m1/s1