[4-(2-pentylsulfanyl-4H-pyrimidin-3-yl)phenyl] 4-pentoxybenzoate

Systemtic Name: [4-(2-pentylsulfanyl-4H-pyrimidin-3-yl)phenyl] 4-pentoxybenzoate Openeye Name: [4-(2-pentylsulfanyl-4H-pyrimidin-3-yl)phenyl] 4-pentoxybenzoate CAS Name: 4-pentoxybenzoic acid [4-[2-(pentylthio)-4H-pyrimidin-3-yl]phenyl] ester IUPAC Name: [4-(2-pentylsulfanyl-4H-pyrimidin-3-yl)phenyl] 4-pentoxybenzoate Traditional Name: 4-amoxybenzoic acid [4-[2-(amylthio)-4H-pyrimidin-3-yl]phenyl] ester Formula: C27H34N2O3S MolecularWeight: 466.63546

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)N3CC=CN=C3SCCCCC

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)N3CC=CN=C3SCCCCC

InChI

InChI=1S/C27H34N2O3S/c1-3-5-7-20-31-24-14-10-22(11-15-24)26(30)32-25-16-12-23(13-17-25)29-19-9-18-28-27(29)33-21-8-6-4-2/h9-18H,3-8,19-21H2,1-2H3