ethyl 2-[[6-(naphthalen-1-ylmethyl)-4-oxidanylidene-5-propan-2-yl-1H-pyrimidin-2-yl]sulfanyl]ethanoate

Systemtic Name: ethyl 2-[[6-(naphthalen-1-ylmethyl)-4-oxidanylidene-5-propan-2-yl-1H-pyrimidin-2-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[[5-isopropyl-6-(1-naphthylmethyl)-4-oxo-1H-pyrimidin-2-yl]sulfanyl]acetate CAS Name: 2-[[6-(1-naphthalenylmethyl)-4-oxo-5-propan-2-yl-1H-pyrimidin-2-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[[6-(naphthalen-1-ylmethyl)-4-oxo-5-propan-2-yl-1H-pyrimidin-2-yl]sulfanyl]acetate Traditional Name: 2-[[5-isopropyl-4-keto-6-(1-naphthylmethyl)-1H-pyrimidin-2-yl]thio]acetic acid ethyl ester Formula: C22H24N2O3S MolecularWeight: 396.50256

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC(=O)C(=C(N1)CC2=CC=CC3=CC=CC=C32)C(C)C

Isomeric SMILES

CCOC(=O)CSC1=NC(=O)C(=C(N1)CC2=CC=CC3=CC=CC=C32)C(C)C

InChI

InChI=1S/C22H24N2O3S/c1-4-27-19(25)13-28-22-23-18(20(14(2)3)21(26)24-22)12-16-10-7-9-15-8-5-6-11-17(15)16/h5-11,14H,4,12-13H2,1-3H3,(H,23,24,26)