ethyl 6-[[6-(diphenylmethyl)-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]hexanoate

Systemtic Name: ethyl 6-[[6-(diphenylmethyl)-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]hexanoate Openeye Name: ethyl 6-[(6-benzhydryl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]hexanoate CAS Name: 6-[[6-(diphenylmethyl)-4-oxo-1H-pyrimidin-2-yl]thio]hexanoic acid ethyl ester IUPAC Name: ethyl 6-[(6-benzhydryl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]hexanoate Traditional Name: 6-[(6-benzhydryl-4-keto-1H-pyrimidin-2-yl)thio]hexanoic acid ethyl ester Formula: C25H28N2O3S MolecularWeight: 436.56642

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCCSC1=NC(=O)C=C(N1)C(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CCCCCSC1=NC(=O)C=C(N1)C(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C25H28N2O3S/c1-2-30-23(29)16-10-5-11-17-31-25-26-21(18-22(28)27-25)24(19-12-6-3-7-13-19)20-14-8-4-9-15-20/h3-4,6-9,12-15,18,24H,2,5,10-11,16-17H2,1H3,(H,26,27,28)