methyl 2-[4-[[4-butyl-6-oxidanylidene-1-(thiophen-2-ylmethyl)pyrimidin-5-yl]methyl]phenyl]benzoate

Systemtic Name: methyl 2-[4-[[4-butyl-6-oxidanylidene-1-(thiophen-2-ylmethyl)pyrimidin-5-yl]methyl]phenyl]benzoate Openeye Name: methyl 2-[4-[[4-butyl-6-oxo-1-(2-thienylmethyl)pyrimidin-5-yl]methyl]phenyl]benzoate CAS Name: 2-[4-[[4-butyl-6-oxo-1-(thiophen-2-ylmethyl)-5-pyrimidinyl]methyl]phenyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-[[4-butyl-6-oxo-1-(thiophen-2-ylmethyl)pyrimidin-5-yl]methyl]phenyl]benzoate Traditional Name: 2-[4-[[4-butyl-6-keto-1-(2-thenyl)pyrimidin-5-yl]methyl]phenyl]benzoic acid methyl ester Formula: C28H28N2O3S MolecularWeight: 472.59852

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=O)N(C=N1)CC2=CC=CS2)CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)OC

Isomeric SMILES

CCCCC1=C(C(=O)N(C=N1)CC2=CC=CS2)CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)OC

InChI

InChI=1S/C28H28N2O3S/c1-3-4-11-26-25(27(31)30(19-29-26)18-22-8-7-16-34-22)17-20-12-14-21(15-13-20)23-9-5-6-10-24(23)28(32)33-2/h5-10,12-16,19H,3-4,11,17-18H2,1-2H3