2-[4-[(5,6-diphenylpyrazin-2-yl)-propan-2-yl-amino]butylsulfanyl]ethanoic acid

Systemtic Name: 2-[4-[(5,6-diphenylpyrazin-2-yl)-propan-2-yl-amino]butylsulfanyl]ethanoic acid Openeye Name: 2-[4-[(5,6-diphenylpyrazin-2-yl)-isopropyl-amino]butylsulfanyl]acetic acid CAS Name: 2-[4-[(5,6-diphenyl-2-pyrazinyl)-propan-2-ylamino]butylthio]acetic acid IUPAC Name: 2-[4-[(5,6-diphenylpyrazin-2-yl)-propan-2-ylamino]butylsulfanyl]acetic acid Traditional Name: 2-[4-[(5,6-diphenylpyrazin-2-yl)-isopropyl-amino]butylthio]acetic acid Formula: C25H29N3O2S MolecularWeight: 435.58166

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CCCCSCC(=O)O)C1=CN=C(C(=N1)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC(C)N(CCCCSCC(=O)O)C1=CN=C(C(=N1)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C25H29N3O2S/c1-19(2)28(15-9-10-16-31-18-23(29)30)22-17-26-24(20-11-5-3-6-12-20)25(27-22)21-13-7-4-8-14-21/h3-8,11-14,17,19H,9-10,15-16,18H2,1-2H3,(H,29,30)