S-[6-(naphthalen-1-ylmethyl)-4-oxidanylidene-5-propan-2-yl-1H-pyrimidin-2-yl] 2-(4-methoxyphenyl)ethanethioate

Systemtic Name: S-[6-(naphthalen-1-ylmethyl)-4-oxidanylidene-5-propan-2-yl-1H-pyrimidin-2-yl] 2-(4-methoxyphenyl)ethanethioate Openeye Name: S-[5-isopropyl-6-(1-naphthylmethyl)-4-oxo-1H-pyrimidin-2-yl] 2-(4-methoxyphenyl)ethanethioate CAS Name: 2-(4-methoxyphenyl)ethanethioic acid S-[6-(1-naphthalenylmethyl)-4-oxo-5-propan-2-yl-1H-pyrimidin-2-yl] ester IUPAC Name: S-[6-(naphthalen-1-ylmethyl)-4-oxo-5-propan-2-yl-1H-pyrimidin-2-yl] 2-(4-methoxyphenyl)ethanethioate Traditional Name: 2-(4-methoxyphenyl)ethanethioic acid S-[5-isopropyl-4-keto-6-(1-naphthylmethyl)-1H-pyrimidin-2-yl] ester Formula: C27H26N2O3S MolecularWeight: 458.57194

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(NC(=NC1=O)SC(=O)CC2=CC=C(C=C2)OC)CC3=CC=CC4=CC=CC=C43

Isomeric SMILES

CC(C)C1=C(NC(=NC1=O)SC(=O)CC2=CC=C(C=C2)OC)CC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C27H26N2O3S/c1-17(2)25-23(16-20-9-6-8-19-7-4-5-10-22(19)20)28-27(29-26(25)31)33-24(30)15-18-11-13-21(32-3)14-12-18/h4-14,17H,15-16H2,1-3H3,(H,28,29,31)