methyl 2-[2-[(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-4-oxidanylidene-1H-pyrimidin-6-yl]ethanoate

Systemtic Name: methyl 2-[2-[(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-4-oxidanylidene-1H-pyrimidin-6-yl]ethanoate Openeye Name: methyl 2-[2-[(1R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-methyl-2-oxo-ethyl]sulfanyl-4-oxo-1H-pyrimidin-6-yl]acetate CAS Name: 2-[2-[[(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]thio]-4-oxo-1H-pyrimidin-6-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]sulfanyl-4-oxo-1H-pyrimidin-6-yl]acetate Traditional Name: 2-[2-[[(1R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-1-methyl-ethyl]thio]-4-keto-1H-pyrimidin-6-yl]acetic acid methyl ester Formula: C19H21N3O4S MolecularWeight: 387.45274

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC2=CC=CC=C2C1)SC3=NC(=O)C=C(N3)CC(=O)OC

Isomeric SMILES

C[C@H](C(=O)N1CCC2=CC=CC=C2C1)SC3=NC(=O)C=C(N3)CC(=O)OC

InChI

InChI=1S/C19H21N3O4S/c1-12(18(25)22-8-7-13-5-3-4-6-14(13)11-22)27-19-20-15(9-16(23)21-19)10-17(24)26-2/h3-6,9,12H,7-8,10-11H2,1-2H3,(H,20,21,23)/t12-/m1/s1