[4-(5-decylpyrimidin-2-yl)phenyl] 5-(1,2-dithiolan-3-yl)pentanoate

Systemtic Name: [4-(5-decylpyrimidin-2-yl)phenyl] 5-(1,2-dithiolan-3-yl)pentanoate Openeye Name: [4-(5-decylpyrimidin-2-yl)phenyl] 5-(dithiolan-3-yl)pentanoate CAS Name: 5-(3-dithiolanyl)pentanoic acid [4-(5-decyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-decylpyrimidin-2-yl)phenyl] 5-(dithiolan-3-yl)pentanoate Traditional Name: 5-(dithiolan-3-yl)valeric acid [4-(5-decylpyrimidin-2-yl)phenyl] ester Formula: C28H40N2O2S2 MolecularWeight: 500.7594

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)CCCCC3CCSS3

Isomeric SMILES

CCCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)CCCCC3CCSS3

InChI

InChI=1S/C28H40N2O2S2/c1-2-3-4-5-6-7-8-9-12-23-21-29-28(30-22-23)24-15-17-25(18-16-24)32-27(31)14-11-10-13-26-19-20-33-34-26/h15-18,21-22,26H,2-14,19-20H2,1H3